2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C26H23ClN2O2 — CID 3628765

About 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 3628765) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 3628765
• Molecular Formula: C26H23ClN2O2
• Molecular Weight: 430.94 g/mol
• Exact Mass: 430.14
• IUPAC Name: 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1
• InChI: InChI=1S/C26H23ClN2O2/c1-16-9-11-24(18(3)12-16)29(26(31)21-6-4-5-7-22(21)27)15-20-14-19-10-8-17(2)13-23(19)28-25(20)30/h4-14H,15H2,1-3H3,(H,28,30)
• InChIKey: ZSRXPABIJYQWFB-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.94
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 3628765) is 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

What is the SMILES notation for 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The canonical SMILES for 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1.

What is the InChIKey of 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The InChIKey is ZSRXPABIJYQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-16-9-11-24(18(3)12-16)29(26(31)21-6-4-5-7-22(21)27)15-20-14-19-10-8-17(2)13-23(19)28-25(20)30/h4-14H,15H2,1-3H3,(H,28,30).

What are the key properties of 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 430.94 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 3628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).