6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one

C28H23ClN4O2 — CID 137438652

About 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one

6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one (PubChem CID 137438652) has the molecular formula C28H23ClN4O2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one
• PubChem CID: 137438652
• Molecular Formula: C28H23ClN4O2
• Molecular Weight: 482.97 g/mol
• Exact Mass: 482.15
• IUPAC Name: 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one
• SMILES: O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CN1CCC(O)C1
• InChI: InChI=1S/C28H23ClN4O2/c29-24-14-19(11-18-7-4-9-30-26(18)24)23-13-20-12-21(15-33-10-8-22(34)16-33)28(35)32-27(20)31-25(23)17-5-2-1-3-6-17/h1-7,9,11-14,22,34H,8,10,15-16H2,(H,31,32,35)
• InChIKey: BQYRICKZEHEEFS-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.97
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one?

The IUPAC name of 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one (CID 137438652) is 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one.

What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one?

The canonical SMILES for 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)cc2cc1CN1CCC(O)C1.

What is the InChIKey of 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one?

The InChIKey is BQYRICKZEHEEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O2/c29-24-14-19(11-18-7-4-9-30-26(18)24)23-13-20-12-21(15-33-10-8-22(34)16-33)28(35)32-27(20)31-25(23)17-5-2-1-3-6-17/h1-7,9,11-14,22,34H,8,10,15-16H2,(H,31,32,35).

What are the key properties of 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one?

6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one has a molecular weight of 482.97 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-chloroquinolin-6-yl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-7-phenyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).