N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C28H27ClN4O2S — CID 42162632

About N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 42162632) has the molecular formula C28H27ClN4O2S and a molecular weight of 519.07 g/mol. Its IUPAC name is N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 42162632
• Molecular Formula: C28H27ClN4O2S
• Molecular Weight: 519.07 g/mol
• Exact Mass: 518.15
• IUPAC Name: N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(-c2nc3cc(Cl)ccc3cc2CN(CCCN2CCCC2=O)C(=O)c2cncs2)c1
• InChI: InChI=1S/C28H27ClN4O2S/c1-19-5-2-6-21(13-19)27-22(14-20-8-9-23(29)15-24(20)31-27)17-33(28(35)25-16-30-18-36-25)12-4-11-32-10-3-7-26(32)34/h2,5-6,8-9,13-16,18H,3-4,7,10-12,17H2,1H3
• InChIKey: GEDCJFWEKWAVFO-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.07
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 42162632) is N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is Cc1cccc(-c2nc3cc(Cl)ccc3cc2CN(CCCN2CCCC2=O)C(=O)c2cncs2)c1.

What is the InChIKey of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

The InChIKey is GEDCJFWEKWAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2S/c1-19-5-2-6-21(13-19)27-22(14-20-8-9-23(29)15-24(20)31-27)17-33(28(35)25-16-30-18-36-25)12-4-11-32-10-3-7-26(32)34/h2,5-6,8-9,13-16,18H,3-4,7,10-12,17H2,1H3.

What are the key properties of N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 519.07 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42162632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).