N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide

C30H22N4O2S — CID 137438794

About N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide

N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide (PubChem CID 137438794) has the molecular formula C30H22N4O2S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
• PubChem CID: 137438794
• Molecular Formula: C30H22N4O2S
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.15
• IUPAC Name: N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
• SMILES: Cc1ccc(-c2nc3[nH]c(C(=O)NCc4ccccc4)cc(=O)c3cc2-c2ccc3ncccc3c2)s1
• InChI: InChI=1S/C30H22N4O2S/c1-18-9-12-27(37-18)28-22(20-10-11-24-21(14-20)8-5-13-31-24)15-23-26(35)16-25(33-29(23)34-28)30(36)32-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,32,36)(H,33,34,35)
• InChIKey: VSGBKFIGVYLQHZ-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide?

The IUPAC name of N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide (CID 137438794) is N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide.

What is the SMILES notation for N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide?

The canonical SMILES for N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide is Cc1ccc(-c2nc3[nH]c(C(=O)NCc4ccccc4)cc(=O)c3cc2-c2ccc3ncccc3c2)s1.

What is the InChIKey of N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide?

The InChIKey is VSGBKFIGVYLQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O2S/c1-18-9-12-27(37-18)28-22(20-10-11-24-21(14-20)8-5-13-31-24)15-23-26(35)16-25(33-29(23)34-28)30(36)32-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,32,36)(H,33,34,35).

What are the key properties of N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide?

N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide has a molecular weight of 502.60 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 137438794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).