N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide

C31H22ClN5O3 — CID 158903317

About N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide

N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 158903317) has the molecular formula C31H22ClN5O3 and a molecular weight of 548.00 g/mol. Its IUPAC name is N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide
• PubChem CID: 158903317
• Molecular Formula: C31H22ClN5O3
• Molecular Weight: 548.00 g/mol
• Exact Mass: 547.14
• IUPAC Name: N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide
• SMILES: COc1ccc(CC(=O)Nc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1
• InChI: InChI=1S/C31H22ClN5O3/c1-40-27-10-9-18(17-34-27)12-26(38)35-25-16-22-14-23(21-13-20-8-5-11-33-29(20)24(32)15-21)28(19-6-3-2-4-7-19)36-30(22)37-31(25)39/h2-11,13-17H,12H2,1H3,(H,35,38)(H,36,37,39)
• InChIKey: JFSKJWXXNYACMS-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.00
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide?

The IUPAC name of N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide (CID 158903317) is N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide.

What is the SMILES notation for N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide?

The canonical SMILES for N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(CC(=O)Nc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)cn1.

What is the InChIKey of N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide?

The InChIKey is JFSKJWXXNYACMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClN5O3/c1-40-27-10-9-18(17-34-27)12-26(38)35-25-16-22-14-23(21-13-20-8-5-11-33-29(20)24(32)15-21)28(19-6-3-2-4-7-19)36-30(22)37-31(25)39/h2-11,13-17H,12H2,1H3,(H,35,38)(H,36,37,39).

What are the key properties of N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide?

N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 548.00 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(8-chloroquinolin-6-yl)-2-oxo-7-phenyl-1H-1,8-naphthyridin-3-yl]-2-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 158903317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).