4-methyl-N-quinolin-3-ylbenzamide

C17H14N2O — CID 974969

IUPAC4-methyl-N-quinolin-3-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H14N2O/c1-12-6-8-13(9-7-12)17(20)19-15-10-14-4-2-3-5-16(14)18-11-15/h2-11H,1H3,(H,19,20)
InChIKeyGPHWKSMAPBOQQE-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.80
Rot. Bonds2

About 4-methyl-N-quinolin-3-ylbenzamide

4-methyl-N-quinolin-3-ylbenzamide (PubChem CID 974969) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-quinolin-3-ylbenzamide
PubChem CID974969
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-methyl-N-quinolin-3-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H14N2O/c1-12-6-8-13(9-7-12)17(20)19-15-10-14-4-2-3-5-16(14)18-11-15/h2-11H,1H3,(H,19,20)
InChIKeyGPHWKSMAPBOQQE-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
CID 22830902
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
CID 5302815
N-(4-tert-butylphenyl)-4-quinolin-3-ylbenzamide
CID 58639670

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-methyl-N-quinolin-3-ylbenzamide (CID 974969) is 4-methyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-methyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-methyl-N-quinolin-3-ylbenzamide is Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-methyl-N-quinolin-3-ylbenzamide?
The InChIKey is GPHWKSMAPBOQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-6-8-13(9-7-12)17(20)19-15-10-14-4-2-3-5-16(14)18-11-15/h2-11H,1H3,(H,19,20).
What are the key properties of 4-methyl-N-quinolin-3-ylbenzamide?
4-methyl-N-quinolin-3-ylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 974969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).