N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide

C19H15ClN2O3 — CID 43831914

IUPACN-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)cc1
InChIInChI=1S/C19H15ClN2O3/c1-11(23)12-6-8-13(9-7-12)21-19(25)15-10-22(2)17-14(18(15)24)4-3-5-16(17)20/h3-10H,1-2H3,(H,21,25)
InChIKeyBNDMIRMQFYQMEH-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.65
Rot. Bonds3

About N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide

N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43831914) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43831914
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC NameN-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)cc1
InChIInChI=1S/C19H15ClN2O3/c1-11(23)12-6-8-13(9-7-12)21-19(25)15-10-22(2)17-14(18(15)24)4-3-5-16(17)20/h3-10H,1-2H3,(H,21,25)
InChIKeyBNDMIRMQFYQMEH-UHFFFAOYSA-N
XLogP3.65
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831923
N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831943
8-chloro-N-(3-methoxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831924
N-(3-chloro-2-methylphenyl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832131
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
7-chloro-1-methyl-3-prop-1-en-2-ylindole
CID 163887392
N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861142
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide
CID 28723012
(2R)-N-(4-carbamoylphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878901
(2R)-N-(3-acetylphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878787
N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172665

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide (CID 43831914) is N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(C)c3c(Cl)cccc3c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is BNDMIRMQFYQMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-11(23)12-6-8-13(9-7-12)21-19(25)15-10-22(2)17-14(18(15)24)4-3-5-16(17)20/h3-10H,1-2H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide?
N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 354.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43831914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).