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

C24H18N4OS — CID 137438779

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

3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438779) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• PubChem CID: 137438779
• Molecular Formula: C24H18N4OS
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.12
• IUPAC Name: 3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• SMILES: Cc1ncc(-c2nc3[nH]cc(C4CC4)c(=O)c3cc2-c2ccc3ncccc3c2)s1
• InChI: InChI=1S/C24H18N4OS/c1-13-26-12-21(30-13)22-17(15-6-7-20-16(9-15)3-2-8-25-20)10-18-23(29)19(14-4-5-14)11-27-24(18)28-22/h2-3,6-12,14H,4-5H2,1H3,(H,27,28,29)
• InChIKey: NGZXWNMNOKFZSO-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438779) is 3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

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

The canonical SMILES for 3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1ncc(-c2nc3[nH]cc(C4CC4)c(=O)c3cc2-c2ccc3ncccc3c2)s1.

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

The InChIKey is NGZXWNMNOKFZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-13-26-12-21(30-13)22-17(15-6-7-20-16(9-15)3-2-8-25-20)10-18-23(29)19(14-4-5-14)11-27-24(18)28-22/h2-3,6-12,14H,4-5H2,1H3,(H,27,28,29).

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

3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 410.50 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).