2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

C92H67Cl2F3N16O — CID 158933672

About 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (PubChem CID 158933672) has the molecular formula C92H67Cl2F3N16O and a molecular weight of 1540.56 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
• PubChem CID: 158933672
• Molecular Formula: C92H67Cl2F3N16O
• Molecular Weight: 1540.56 g/mol
• Exact Mass: 1538.50
• IUPAC Name: 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
• SMILES: CNc1ccc2nc(-c3cccc(Cl)c3)nc(-n3ccc4cnccc43)c2c1.COCCCNc1ccc2nc(-c3cccc(Cl)c3)nc(-n3ccc4cnccc43)c2c1.Cc1cccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)c1.Fc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)cc1
• InChI: InChI=1S/C25H22ClN5O.C23H16FN3.C22H16ClN5.C22H13F2N3/c1-32-13-3-10-28-20-6-7-22-21(15-20)25(31-12-9-18-16-27-11-8-23(18)31)30-24(29-22)17-4-2-5-19(26)14-17;1-15-5-4-6-16(13-15)22-21(24)23(18-7-2-3-8-19(18)26-22)27-12-10-17-14-25-11-9-20(17)27;1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14;23-16-7-5-14(6-8-16)21-20(24)22(17-3-1-2-4-18(17)26-21)27-12-10-15-13-25-11-9-19(15)27/h2,4-9,11-12,14-16,28H,3,10,13H2,1H3;2-14H,1H3;2-13,24H,1H3;1-13H
• InChIKey: JJJOGESZIVCASR-UHFFFAOYSA-N
• XLogP: 22.28
• TPSA: 181.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.56
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?

The IUPAC name of 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (CID 158933672) is 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.

What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?

The canonical SMILES for 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is CNc1ccc2nc(-c3cccc(Cl)c3)nc(-n3ccc4cnccc43)c2c1.COCCCNc1ccc2nc(-c3cccc(Cl)c3)nc(-n3ccc4cnccc43)c2c1.Cc1cccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)c1.Fc1ccc(-c2nc3ccccc3c(-n3ccc4cnccc43)c2F)cc1.

What is the InChIKey of 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?

The InChIKey is JJJOGESZIVCASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O.C23H16FN3.C22H16ClN5.C22H13F2N3/c1-32-13-3-10-28-20-6-7-22-21(15-20)25(31-12-9-18-16-27-11-8-23(18)31)30-24(29-22)17-4-2-5-19(26)14-17;1-15-5-4-6-16(13-15)22-21(24)23(18-7-2-3-8-19(18)26-22)27-12-10-17-14-25-11-9-20(17)27;1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14;23-16-7-5-14(6-8-16)21-20(24)22(17-3-1-2-4-18(17)26-21)27-12-10-15-13-25-11-9-19(15)27/h2,4-9,11-12,14-16,28H,3,10,13H2,1H3;2-14H,1H3;2-13,24H,1H3;1-13H.

What are the key properties of 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?

2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline has a molecular weight of 1540.56 g/mol, XLogP of 22.28, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-(3-methoxypropyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;2-(3-chlorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine;3-fluoro-2-(4-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(3-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is sourced from PubChem (CID 158933672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).