N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C34H35ClN4O3 — CID 45181635

About N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 45181635) has the molecular formula C34H35ClN4O3 and a molecular weight of 583.13 g/mol. Its IUPAC name is N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 45181635
• Molecular Formula: C34H35ClN4O3
• Molecular Weight: 583.13 g/mol
• Exact Mass: 582.24
• IUPAC Name: N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: Cc1cccc(-c2nc3cc(Cl)ccc3cc2CN(CCCN2CCCC2=O)C(=O)c2cc3c([nH]c2=O)CCCC3)c1
• InChI: InChI=1S/C34H35ClN4O3/c1-22-7-4-9-25(17-22)32-26(18-24-12-13-27(35)20-30(24)36-32)21-39(16-6-15-38-14-5-11-31(38)40)34(42)28-19-23-8-2-3-10-29(23)37-33(28)41/h4,7,9,12-13,17-20H,2-3,5-6,8,10-11,14-16,21H2,1H3,(H,37,41)
• InChIKey: UXJPGMGDPGSVKS-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.13
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 45181635) is N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is Cc1cccc(-c2nc3cc(Cl)ccc3cc2CN(CCCN2CCCC2=O)C(=O)c2cc3c([nH]c2=O)CCCC3)c1.

What is the InChIKey of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is UXJPGMGDPGSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN4O3/c1-22-7-4-9-25(17-22)32-26(18-24-12-13-27(35)20-30(24)36-32)21-39(16-6-15-38-14-5-11-31(38)40)34(42)28-19-23-8-2-3-10-29(23)37-33(28)41/h4,7,9,12-13,17-20H,2-3,5-6,8,10-11,14-16,21H2,1H3,(H,37,41).

What are the key properties of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 583.13 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 45181635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).