7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C29H22N4OS — CID 159538525

About 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 159538525) has the molecular formula C29H22N4OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• PubChem CID: 159538525
• Molecular Formula: C29H22N4OS
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.15
• IUPAC Name: 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• SMILES: Cc1ncc(-c2nc3[nH]cc(CCc4ccccc4)c(=O)c3cc2-c2ccc3ncccc3c2)s1
• InChI: InChI=1S/C29H22N4OS/c1-18-31-17-26(35-18)27-23(20-11-12-25-21(14-20)8-5-13-30-25)15-24-28(34)22(16-32-29(24)33-27)10-9-19-6-3-2-4-7-19/h2-8,11-17H,9-10H2,1H3,(H,32,33,34)
• InChIKey: MDXBOSRZQTWZKL-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

The IUPAC name of 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 159538525) is 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1ncc(-c2nc3[nH]cc(CCc4ccccc4)c(=O)c3cc2-c2ccc3ncccc3c2)s1.

What is the InChIKey of 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

The InChIKey is MDXBOSRZQTWZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4OS/c1-18-31-17-26(35-18)27-23(20-11-12-25-21(14-20)8-5-13-30-25)15-24-28(34)22(16-32-29(24)33-27)10-9-19-6-3-2-4-7-19/h2-8,11-17H,9-10H2,1H3,(H,32,33,34).

What are the key properties of 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?

7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 474.59 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 159538525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).