N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide

C17H17ClN2O2 — CID 110746972

IUPACN-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide
SMILESCC1(O)CCN(C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClN2O2/c1-17(22)9-10-20(15-8-3-2-7-14(15)17)16(21)19-13-6-4-5-12(18)11-13/h2-8,11,22H,9-10H2,1H3,(H,19,21)
InChIKeyYOSNXBJMXDTWTR-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.99
Rot. Bonds1

About N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide

N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide (PubChem CID 110746972) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide
PubChem CID110746972
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide
SMILESCC1(O)CCN(C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClN2O2/c1-17(22)9-10-20(15-8-3-2-7-14(15)17)16(21)19-13-6-4-5-12(18)11-13/h2-8,11,22H,9-10H2,1H3,(H,19,21)
InChIKeyYOSNXBJMXDTWTR-UHFFFAOYSA-N
XLogP3.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-(3-methylphenyl)methanone
CID 110709581
N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
CID 23072023
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
(2S)-N-(3-chlorophenyl)-1'-ethyl-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180395
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide
CID 7345091
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide (CID 110746972) is N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide is CC1(O)CCN(C(=O)Nc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide?
The InChIKey is YOSNXBJMXDTWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-17(22)9-10-20(15-8-3-2-7-14(15)17)16(21)19-13-6-4-5-12(18)11-13/h2-8,11,22H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide?
N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 110746972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).