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

C23H17N3O2 — CID 137438814

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

3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438814) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
• PubChem CID: 137438814
• Molecular Formula: C23H17N3O2
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.13
• IUPAC Name: 3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
• SMILES: Cc1ccc(-c2nc3[nH]c(=O)c(C)cc3cc2-c2ccc3ncccc3c2)o1
• InChI: InChI=1S/C23H17N3O2/c1-13-10-17-12-18(15-6-7-19-16(11-15)4-3-9-24-19)21(20-8-5-14(2)28-20)25-22(17)26-23(13)27/h3-12H,1-2H3,(H,25,26,27)
• InChIKey: OZGAEPASKVCLFF-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438814) is 3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

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

The canonical SMILES for 3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)c(C)cc3cc2-c2ccc3ncccc3c2)o1.

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

The InChIKey is OZGAEPASKVCLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-13-10-17-12-18(15-6-7-19-16(11-15)4-3-9-24-19)21(20-8-5-14(2)28-20)25-22(17)26-23(13)27/h3-12H,1-2H3,(H,25,26,27).

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

3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 367.41 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).