3-chloro-N-(2-methylquinolin-4-yl)benzamide

C17H13ClN2O — CID 4298030

IUPAC3-chloro-N-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c1-11-9-16(14-7-2-3-8-15(14)19-11)20-17(21)12-5-4-6-13(18)10-12/h2-10H,1H3,(H,19,20,21)
InChIKeyOZHQKCCTMIRZFY-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.45
Rot. Bonds2

About 3-chloro-N-(2-methylquinolin-4-yl)benzamide

3-chloro-N-(2-methylquinolin-4-yl)benzamide (PubChem CID 4298030) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-chloro-N-(2-methylquinolin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylquinolin-4-yl)benzamide
PubChem CID4298030
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-chloro-N-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H13ClN2O/c1-11-9-16(14-7-2-3-8-15(14)19-11)20-17(21)12-5-4-6-13(18)10-12/h2-10H,1H3,(H,19,20,21)
InChIKeyOZHQKCCTMIRZFY-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide
CID 39849351
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylquinolin-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-methylquinolin-4-yl)benzamide (CID 4298030) is 3-chloro-N-(2-methylquinolin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methylquinolin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methylquinolin-4-yl)benzamide is Cc1cc(NC(=O)c2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 3-chloro-N-(2-methylquinolin-4-yl)benzamide?
The InChIKey is OZHQKCCTMIRZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-9-16(14-7-2-3-8-15(14)19-11)20-17(21)12-5-4-6-13(18)10-12/h2-10H,1H3,(H,19,20,21).
What are the key properties of 3-chloro-N-(2-methylquinolin-4-yl)benzamide?
3-chloro-N-(2-methylquinolin-4-yl)benzamide has a molecular weight of 296.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylquinolin-4-yl)benzamide is sourced from PubChem (CID 4298030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).