2-bromo-3-methyl-N-quinolin-3-ylbenzamide

C17H13BrN2O — CID 52946710

IUPAC2-bromo-3-methyl-N-quinolin-3-ylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc3ccccc3c2)c1Br
InChIInChI=1S/C17H13BrN2O/c1-11-5-4-7-14(16(11)18)17(21)20-13-9-12-6-2-3-8-15(12)19-10-13/h2-10H,1H3,(H,20,21)
InChIKeyPAKLWFKSVFEBPB-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

About 2-bromo-3-methyl-N-quinolin-3-ylbenzamide

2-bromo-3-methyl-N-quinolin-3-ylbenzamide (PubChem CID 52946710) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-quinolin-3-ylbenzamide
PubChem CID52946710
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name2-bromo-3-methyl-N-quinolin-3-ylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc3ccccc3c2)c1Br
InChIInChI=1S/C17H13BrN2O/c1-11-5-4-7-14(16(11)18)17(21)20-13-9-12-6-2-3-8-15(12)19-10-13/h2-10H,1H3,(H,20,21)
InChIKeyPAKLWFKSVFEBPB-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-3-methyl-N-quinolin-3-ylbenzamide 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-3-methyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 2-bromo-3-methyl-N-quinolin-3-ylbenzamide (CID 52946710) is 2-bromo-3-methyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2-bromo-3-methyl-N-quinolin-3-ylbenzamide is Cc1cccc(C(=O)Nc2cnc3ccccc3c2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-quinolin-3-ylbenzamide?
The InChIKey is PAKLWFKSVFEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-5-4-7-14(16(11)18)17(21)20-13-9-12-6-2-3-8-15(12)19-10-13/h2-10H,1H3,(H,20,21).
What are the key properties of 2-bromo-3-methyl-N-quinolin-3-ylbenzamide?
2-bromo-3-methyl-N-quinolin-3-ylbenzamide has a molecular weight of 341.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 52946710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).