3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C26H23ClN2O2 — CID 17101052

About 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 17101052) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 17101052
• Molecular Formula: C26H23ClN2O2
• Molecular Weight: 430.94 g/mol
• Exact Mass: 430.14
• IUPAC Name: 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1
• InChI: InChI=1S/C26H23ClN2O2/c1-16-8-10-23-20(11-16)13-21(25(30)28-23)15-29(24-12-17(2)7-9-18(24)3)26(31)19-5-4-6-22(27)14-19/h4-14H,15H2,1-3H3,(H,28,30)
• InChIKey: OKGLUUUAPKBZDW-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-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 17101052) is 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

What is the SMILES notation for 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The canonical SMILES for 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1.

What is the InChIKey of 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

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

What are the key properties of 3-chloro-N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

3-chloro-N-(2,5-dimethylphenyl)-N-[(6-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-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 17101052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).