7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C27H18N4O2 — CID 137438252

About 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438252) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• PubChem CID: 137438252
• Molecular Formula: C27H18N4O2
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.14
• IUPAC Name: 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
• SMILES: Cc1ccc(-c2nc3[nH]cc(-c4ccccn4)c(=O)c3cc2-c2ccc3ncccc3c2)o1
• InChI: InChI=1S/C27H18N4O2/c1-16-7-10-24(33-16)25-19(17-8-9-22-18(13-17)5-4-12-28-22)14-20-26(32)21(15-30-27(20)31-25)23-6-2-3-11-29-23/h2-15H,1H3,(H,30,31,32)
• InChIKey: UUFDBUCANOGNKL-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438252) is 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

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

The canonical SMILES for 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is Cc1ccc(-c2nc3[nH]cc(-c4ccccn4)c(=O)c3cc2-c2ccc3ncccc3c2)o1.

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

The InChIKey is UUFDBUCANOGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c1-16-7-10-24(33-16)25-19(17-8-9-22-18(13-17)5-4-12-28-22)14-20-26(32)21(15-30-27(20)31-25)23-6-2-3-11-29-23/h2-15H,1H3,(H,30,31,32).

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

7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 430.47 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).