8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide

C31H35ClFN5O2 — CID 169241305

About 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide

8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide (PubChem CID 169241305) has the molecular formula C31H35ClFN5O2 and a molecular weight of 564.11 g/mol. Its IUPAC name is 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide.

Molecular Properties

• Compound Name: 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide
• PubChem CID: 169241305
• Molecular Formula: C31H35ClFN5O2
• Molecular Weight: 564.11 g/mol
• Exact Mass: 563.25
• IUPAC Name: 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide
• SMILES: CCCC(Cc1cc(Cl)c2ncc(C)cc2c1)c1cc2c(c(-c3ccc(F)cc3)n1)NCC2C.NC=O.NC=O
• InChI: InChI=1S/C29H29ClFN3.2CH3NO/c1-4-5-21(11-19-12-22-10-17(2)15-32-27(22)25(30)13-19)26-14-24-18(3)16-33-29(24)28(34-26)20-6-8-23(31)9-7-20;2*2-1-3/h6-10,12-15,18,21,33H,4-5,11,16H2,1-3H3;2*1H,(H2,2,3)
• InChIKey: MRLKRFJVQBBNPP-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 123.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.11
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide?

The IUPAC name of 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide (CID 169241305) is 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide.

What is the SMILES notation for 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide?

The canonical SMILES for 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide is CCCC(Cc1cc(Cl)c2ncc(C)cc2c1)c1cc2c(c(-c3ccc(F)cc3)n1)NCC2C.NC=O.NC=O.

What is the InChIKey of 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide?

The InChIKey is MRLKRFJVQBBNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClFN3.2CH3NO/c1-4-5-21(11-19-12-22-10-17(2)15-32-27(22)25(30)13-19)26-14-24-18(3)16-33-29(24)28(34-26)20-6-8-23(31)9-7-20;2*2-1-3/h6-10,12-15,18,21,33H,4-5,11,16H2,1-3H3;2*1H,(H2,2,3).

What are the key properties of 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide?

8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide has a molecular weight of 564.11 g/mol, XLogP of 6.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-6-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-5-yl]pentyl]-3-methylquinoline;formamide is sourced from PubChem (CID 169241305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).