User Information

• Synonyms (0)
• Vendors (1)
• Annotations (0)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC30680118

• 30680118

Physical Representations

Activity (Go SEA)

• 32736361
  

  Analogs

  30680118

  

  Popular Name: 4-(acetamidomethyl)-N-(8-quinolyl)benzamide 4-(acetamidomethyl)-N-(8-quinoly…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 23973269

  • Enamine

    • Z87685076

  • Mcule

    • MCULE-9591608809

  • PubChem

    • 18196066

  • Ambinter

    • Amb8297250

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.71	6.07	-17.12	2	5	0	71	319.364	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32736361
• 68261509
  

  Analogs

  30680118

  

  Popular Name: 4-(dimethylaminomethyl)-N-(8-quinolyl)benzamide 4-(dimethylaminomethyl)-N-(8-qui…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.59	8.97	-46.97	2	4	1	46	306.389	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.59	6.51	-10.62	1	4	0	45	305.381	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC68261509
• 79621757
  

  Analogs

  30680118

  

  Popular Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-(8-quinolyl)benzamide 4-[(4-methylpiperazin-1-yl)methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.48	8.41	-44.4	2	5	1	50	361.469	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	6.04	-11.1	1	5	0	48	360.461	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC79621757
• 10912728
  

  Analogs

  14517437

  

  14517744

  

  30680118

  

  Popular Name: N-(8-quinolyl)terephthalamide N-(8-quinolyl)terephthalamide

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 24092885

  • Enamine

    • Z51866190

  • Mcule

    • MCULE-8451017402

  • PubChem

    • 41725226

  • Ambinter

    • Amb8255547

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.60	-2.97	-16.39	3	5	0	85	291.31	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC10912728
• 22700382
  

  Analogs

  30680118

  

  16468646

  

  572082

  

  Popular Name: N,N'-bis(8-quinolyl)terephthalamide N,N'-bis(8-quinolyl)terephthalamide

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY Make-on-demand

    • PB28564924

  • PubChem

    • 24646344

  • AKOS (make-on-demand)

    • AKOS001413406

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.63	9.64	-19.51	2	6	0	84	418.456	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22700382
• 19281727
  

  Analogs

  30680118

  

  14517437

  

  14517744

  

  Popular Name: 4-(aminomethyl)-N-(8-quinolyl)benzamide 4-(aminomethyl)-N-(8-quinolyl)be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20117692
    • 28126825

  • Enamine BB Make on Demand

    • BBV-045969

  • UORSY BB Make-on-demand

    • BBV-045969

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.97	5.07	-58.81	4	4	1	70	278.335	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.97	4.68	-11.68	3	4	0	68	277.327	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19281727
• 572082
  

  Analogs

  14517437

  

  14517744

  

  16468646

  

  22700382

  

  30680118

  

  Popular Name: 4-methyl-N-(8-quinolyl)benzamide 4-methyl-N-(8-quinolyl)benzamide

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-652/11332719

  • eMolecules

    • 1747569

  • Molport

    • MolPort-001-557-997

  • Mcule

    • MCULE-4403586532

  • Princeton BioMolecular Research

    • OSSL_588211

  And 9 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.23	0.05	-10.84	1	3	0	41	262.312	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00572082