3-bromo-5-methyl-N-quinolin-3-ylbenzamide

C17H13BrN2O — CID 52940665

IUPAC3-bromo-5-methyl-N-quinolin-3-ylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H13BrN2O/c1-11-6-13(8-14(18)7-11)17(21)20-15-9-12-4-2-3-5-16(12)19-10-15/h2-10H,1H3,(H,20,21)
InChIKeyHBJUXTLOOQRHBL-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

About 3-bromo-5-methyl-N-quinolin-3-ylbenzamide

3-bromo-5-methyl-N-quinolin-3-ylbenzamide (PubChem CID 52940665) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-quinolin-3-ylbenzamide
PubChem CID52940665
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name3-bromo-5-methyl-N-quinolin-3-ylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C17H13BrN2O/c1-11-6-13(8-14(18)7-11)17(21)20-15-9-12-4-2-3-5-16(12)19-10-15/h2-10H,1H3,(H,20,21)
InChIKeyHBJUXTLOOQRHBL-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-bromo-5-methyl-N-quinolin-3-ylbenzamide (CID 52940665) is 3-bromo-5-methyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-bromo-5-methyl-N-quinolin-3-ylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-quinolin-3-ylbenzamide?
The InChIKey is HBJUXTLOOQRHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-6-13(8-14(18)7-11)17(21)20-15-9-12-4-2-3-5-16(12)19-10-15/h2-10H,1H3,(H,20,21).
What are the key properties of 3-bromo-5-methyl-N-quinolin-3-ylbenzamide?
3-bromo-5-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 3-bromo-5-methyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 52940665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).