N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide

C28H19N5O2S — CID 137438077

About N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide

N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide (PubChem CID 137438077) has the molecular formula C28H19N5O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide
• PubChem CID: 137438077
• Molecular Formula: C28H19N5O2S
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.13
• IUPAC Name: N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide
• SMILES: Cc1ncc(-c2nc3[nH]cc(NC(=O)c4ccccc4)c(=O)c3cc2-c2ccc3ncccc3c2)s1
• InChI: InChI=1S/C28H19N5O2S/c1-16-30-15-24(36-16)25-20(18-9-10-22-19(12-18)8-5-11-29-22)13-21-26(34)23(14-31-27(21)33-25)32-28(35)17-6-3-2-4-7-17/h2-15H,1H3,(H,32,35)(H,31,33,34)
• InChIKey: IWYGQUFRCVGYSF-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide?

The IUPAC name of N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide (CID 137438077) is N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide.

What is the SMILES notation for N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide?

The canonical SMILES for N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide is Cc1ncc(-c2nc3[nH]cc(NC(=O)c4ccccc4)c(=O)c3cc2-c2ccc3ncccc3c2)s1.

What is the InChIKey of N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide?

The InChIKey is IWYGQUFRCVGYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2S/c1-16-30-15-24(36-16)25-20(18-9-10-22-19(12-18)8-5-11-29-22)13-21-26(34)23(14-31-27(21)33-25)32-28(35)17-6-3-2-4-7-17/h2-15H,1H3,(H,32,35)(H,31,33,34).

What are the key properties of N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide?

N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide has a molecular weight of 489.56 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide is sourced from PubChem (CID 137438077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).