2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide

C25H21BrN2O2 — CID 3447208

IUPAC2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Br)c1
InChIInChI=1S/C25H21BrN2O2/c1-16-7-5-10-20(13-16)28(25(30)21-11-3-4-12-22(21)26)15-19-14-18-9-6-8-17(2)23(18)27-24(19)29/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyTZKDJUAJORWSSA-UHFFFAOYSA-N
MW461.36 g/mol
LogP5.75
Rot. Bonds4

About 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide

2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide (PubChem CID 3447208) has the molecular formula C25H21BrN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
PubChem CID3447208
Molecular FormulaC25H21BrN2O2
Molecular Weight461.36 g/mol
Exact Mass460.08
IUPAC Name2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Br)c1
InChIInChI=1S/C25H21BrN2O2/c1-16-7-5-10-20(13-16)28(25(30)21-11-3-4-12-22(21)26)15-19-14-18-9-6-8-17(2)23(18)27-24(19)29/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyTZKDJUAJORWSSA-UHFFFAOYSA-N
XLogP5.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide (CID 3447208) is 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide is Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
The InChIKey is TZKDJUAJORWSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O2/c1-16-7-5-10-20(13-16)28(25(30)21-11-3-4-12-22(21)26)15-19-14-18-9-6-8-17(2)23(18)27-24(19)29/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide?
2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide has a molecular weight of 461.36 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 3447208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).