6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide

C22H17Cl2N3O2 — CID 60597421

About 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide

6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide (PubChem CID 60597421) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
• PubChem CID: 60597421
• Molecular Formula: C22H17Cl2N3O2
• Molecular Weight: 426.30 g/mol
• Exact Mass: 425.07
• IUPAC Name: 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(Cl)nc1
• InChI: InChI=1S/C22H17Cl2N3O2/c23-17-5-1-14(2-6-17)13-27-19-8-7-18(11-15(19)4-10-21(27)28)26-22(29)16-3-9-20(24)25-12-16/h1-3,5-9,11-12H,4,10,13H2,(H,26,29)
• InChIKey: VVURJRQENBDHKK-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.30
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide (CID 60597421) is 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide is O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc(Cl)nc1.

What is the InChIKey of 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide?

The InChIKey is VVURJRQENBDHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c23-17-5-1-14(2-6-17)13-27-19-8-7-18(11-15(19)4-10-21(27)28)26-22(29)16-3-9-20(24)25-12-16/h1-3,5-9,11-12H,4,10,13H2,(H,26,29).

What are the key properties of 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide?

6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide has a molecular weight of 426.30 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 60597421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).