6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one

C29H25ClN4O2 — CID 137439010

About 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 137439010) has the molecular formula C29H25ClN4O2 and a molecular weight of 497.00 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
• PubChem CID: 137439010
• Molecular Formula: C29H25ClN4O2
• Molecular Weight: 497.00 g/mol
• Exact Mass: 496.17
• IUPAC Name: 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one
• SMILES: CN1CCC(Oc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1
• InChI: InChI=1S/C29H25ClN4O2/c1-34-12-9-22(10-13-34)36-25-17-21-15-23(20-14-19-8-5-11-31-27(19)24(30)16-20)26(18-6-3-2-4-7-18)32-28(21)33-29(25)35/h2-8,11,14-17,22H,9-10,12-13H2,1H3,(H,32,33,35)
• InChIKey: NJYNMICYKUMUDT-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.00
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one?

The IUPAC name of 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137439010) is 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one.

What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one?

The canonical SMILES for 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one is CN1CCC(Oc2cc3cc(-c4cc(Cl)c5ncccc5c4)c(-c4ccccc4)nc3[nH]c2=O)CC1.

What is the InChIKey of 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one?

The InChIKey is NJYNMICYKUMUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O2/c1-34-12-9-22(10-13-34)36-25-17-21-15-23(20-14-19-8-5-11-31-27(19)24(30)16-20)26(18-6-3-2-4-7-18)32-28(21)33-29(25)35/h2-8,11,14-17,22H,9-10,12-13H2,1H3,(H,32,33,35).

What are the key properties of 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one?

6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 497.00 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)oxy-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137439010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).