(4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C32H26ClN3O3 — CID 1022999

About (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 1022999) has the molecular formula C32H26ClN3O3 and a molecular weight of 536.03 g/mol. Its IUPAC name is (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 1022999
• Molecular Formula: C32H26ClN3O3
• Molecular Weight: 536.03 g/mol
• Exact Mass: 535.17
• IUPAC Name: (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3)o2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1
• InChI: InChI=1S/C32H26ClN3O3/c1-19-29(32(38)36-28-12-5-6-15-34-28)31(27-14-13-26(39-27)21-10-7-11-23(33)16-21)30-24(35-19)17-22(18-25(30)37)20-8-3-2-4-9-20/h2-16,22,31,35H,17-18H2,1H3,(H,34,36,38)/t22-,31+/m1/s1
• InChIKey: XCLJLAKIWYGNLN-UVDDSOTQSA-N
• XLogP: 7.00
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.03
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 1022999) is (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3)o2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1.

What is the InChIKey of (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is XCLJLAKIWYGNLN-UVDDSOTQSA-N. The full InChI is InChI=1S/C32H26ClN3O3/c1-19-29(32(38)36-28-12-5-6-15-34-28)31(27-14-13-26(39-27)21-10-7-11-23(33)16-21)30-24(35-19)17-22(18-25(30)37)20-8-3-2-4-9-20/h2-16,22,31,35H,17-18H2,1H3,(H,34,36,38)/t22-,31+/m1/s1.

What are the key properties of (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

(4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 536.03 g/mol, XLogP of 7.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R)-4-[5-(3-chlorophenyl)furan-2-yl]-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1022999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).