3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C26H23ClN2O2 — CID 46262354

About 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 46262354) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 46262354
• Molecular Formula: C26H23ClN2O2
• Molecular Weight: 430.94 g/mol
• Exact Mass: 430.14
• IUPAC Name: 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1C
• InChI: InChI=1S/C26H23ClN2O2/c1-16-7-5-12-23(18(16)3)29(26(31)20-10-6-11-22(27)14-20)15-21-13-19-9-4-8-17(2)24(19)28-25(21)30/h4-14H,15H2,1-3H3,(H,28,30)
• InChIKey: DIXRTRKWIAHQDY-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 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 46262354) is 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

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

The canonical SMILES for 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1C.

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

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

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

3-chloro-N-(2,3-dimethylphenyl)-N-[(8-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 3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 46262354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).