4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide

C18H15ClN2O — CID 171386122

IUPAC4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide
SMILESCc1cc2c(C)cc(-c3ccc(C(N)=O)cc3)nc2cc1Cl
InChIInChI=1S/C18H15ClN2O/c1-10-8-16(12-3-5-13(6-4-12)18(20)22)21-17-9-15(19)11(2)7-14(10)17/h3-9H,1-2H3,(H2,20,22)
InChIKeyIAEBDQQQRNZZJW-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.27
Rot. Bonds2

About 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide

4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide (PubChem CID 171386122) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide
PubChem CID171386122
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide
SMILESCc1cc2c(C)cc(-c3ccc(C(N)=O)cc3)nc2cc1Cl
InChIInChI=1S/C18H15ClN2O/c1-10-8-16(12-3-5-13(6-4-12)18(20)22)21-17-9-15(19)11(2)7-14(10)17/h3-9H,1-2H3,(H2,20,22)
InChIKeyIAEBDQQQRNZZJW-UHFFFAOYSA-N
XLogP4.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methyl-6-propan-2-yloxyquinolin-2-yl)benzamide
CID 171385894
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]benzoic acid
CID 171915292
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-(3,4-dichlorophenyl)benzamide
CID 141087497
7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline
CID 575262
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid
CID 170048281
4-(3-chloroquinolin-2-yl)benzamide
CID 164550210
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
5-chloro-2,4-dimethylbenzamide
CID 82551019

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide?
The IUPAC name of 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide (CID 171386122) is 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide.
What is the SMILES notation for 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide?
The canonical SMILES for 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide is Cc1cc2c(C)cc(-c3ccc(C(N)=O)cc3)nc2cc1Cl.
What is the InChIKey of 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide?
The InChIKey is IAEBDQQQRNZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-10-8-16(12-3-5-13(6-4-12)18(20)22)21-17-9-15(19)11(2)7-14(10)17/h3-9H,1-2H3,(H2,20,22).
What are the key properties of 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide?
4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide has a molecular weight of 310.78 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide is sourced from PubChem (CID 171386122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).