2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide

C25H19BrClN3O3 — CID 22424622

About 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide

2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 22424622) has the molecular formula C25H19BrClN3O3 and a molecular weight of 524.80 g/mol. Its IUPAC name is 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
• PubChem CID: 22424622
• Molecular Formula: C25H19BrClN3O3
• Molecular Weight: 524.80 g/mol
• Exact Mass: 523.03
• IUPAC Name: 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
• SMILES: Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCc3ccccc3Cl)c2n1
• InChI: InChI=1S/C25H19BrClN3O3/c1-15-6-11-19-24(33)20(23(32)16-7-9-18(26)10-8-16)13-30(25(19)29-15)14-22(31)28-12-17-4-2-3-5-21(17)27/h2-11,13H,12,14H2,1H3,(H,28,31)
• InChIKey: NTULTYACAPOIKN-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.80
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?

The IUPAC name of 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (CID 22424622) is 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.

What is the SMILES notation for 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?

The canonical SMILES for 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCc3ccccc3Cl)c2n1.

What is the InChIKey of 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?

The InChIKey is NTULTYACAPOIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrClN3O3/c1-15-6-11-19-24(33)20(23(32)16-7-9-18(26)10-8-16)13-30(25(19)29-15)14-22(31)28-12-17-4-2-3-5-21(17)27/h2-11,13H,12,14H2,1H3,(H,28,31).

What are the key properties of 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?

2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 524.80 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 22424622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).