7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide

C19H17ClN2O2 — CID 43860282

IUPAC7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O
InChIInChI=1S/C19H17ClN2O2/c1-3-12-6-4-5-7-16(12)22-19(24)14-10-21-17-11(2)15(20)9-8-13(17)18(14)23/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUQLOZUCIJUVQAL-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.30
Rot. Bonds3

About 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide

7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 43860282) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID43860282
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O
InChIInChI=1S/C19H17ClN2O2/c1-3-12-6-4-5-7-16(12)22-19(24)14-10-21-17-11(2)15(20)9-8-13(17)18(14)23/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUQLOZUCIJUVQAL-UHFFFAOYSA-N
XLogP4.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
7-chloro-8-methyl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-quinoline-3-carboxamide
CID 43860319
7-chloro-N-(2-chlorophenyl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860427
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
methyl 2-(6-chloro-7-methyl-1H-indol-3-yl)-2-oxoacetate
CID 84742082
N-(7-chloro-2,8-dimethylquinolin-4-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 43860381
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860436
7-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1H-quinolin-4-one
CID 43860284

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 43860282) is 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide is CCc1ccccc1NC(=O)c1c[nH]c2c(C)c(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UQLOZUCIJUVQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-12-6-4-5-7-16(12)22-19(24)14-10-21-17-11(2)15(20)9-8-13(17)18(14)23/h4-10H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43860282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).