1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C24H20ClN3O3 — CID 43996326

About 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996326) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 43996326
• Molecular Formula: C24H20ClN3O3
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.12
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: COc1ccc(C)cc1NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
• InChI: InChI=1S/C24H20ClN3O3/c1-15-5-10-21(31-2)20(12-15)27-23(29)19-13-17-4-3-11-26-22(17)28(24(19)30)14-16-6-8-18(25)9-7-16/h3-13H,14H2,1-2H3,(H,27,29)
• InChIKey: RHUUADYAYGGUKS-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996326) is 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is RHUUADYAYGGUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-5-10-21(31-2)20(12-15)27-23(29)19-13-17-4-3-11-26-22(17)28(24(19)30)14-16-6-8-18(25)9-7-16/h3-13H,14H2,1-2H3,(H,27,29).

What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?

1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).