2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide

C24H21ClN2O2S — CID 23997268

About 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide

2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 23997268) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
• PubChem CID: 23997268
• Molecular Formula: C24H21ClN2O2S
• Molecular Weight: 436.96 g/mol
• Exact Mass: 436.10
• IUPAC Name: 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
• SMILES: Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccccc3Cl)cc12
• InChI: InChI=1S/C24H21ClN2O2S/c1-15-9-10-16(2)22-20(15)12-17(23(28)26-22)13-27(14-18-6-5-11-30-18)24(29)19-7-3-4-8-21(19)25/h3-12H,13-14H2,1-2H3,(H,26,28)
• InChIKey: PMOYRBIBZLFLEQ-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.96
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?

The IUPAC name of 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 23997268) is 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide.

What is the SMILES notation for 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?

The canonical SMILES for 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccccc3Cl)cc12.

What is the InChIKey of 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?

The InChIKey is PMOYRBIBZLFLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-15-9-10-16(2)22-20(15)12-17(23(28)26-22)13-27(14-18-6-5-11-30-18)24(29)19-7-3-4-8-21(19)25/h3-12H,13-14H2,1-2H3,(H,26,28).

What are the key properties of 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?

2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 436.96 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 23997268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).