1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one

C17H15Cl2NO2 — CID 154452856

IUPAC1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)N(c1c(Cl)cccc1Cl)C(=O)C(C)C2
InChIInChI=1S/C17H15Cl2NO2/c1-10-8-11-6-7-12(22-2)9-15(11)20(17(10)21)16-13(18)4-3-5-14(16)19/h3-7,9-10H,8H2,1-2H3
InChIKeyIXAFEUADGBYGMC-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.86
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one

1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one (PubChem CID 154452856) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one
PubChem CID154452856
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)N(c1c(Cl)cccc1Cl)C(=O)C(C)C2
InChIInChI=1S/C17H15Cl2NO2/c1-10-8-11-6-7-12(22-2)9-15(11)20(17(10)21)16-13(18)4-3-5-14(16)19/h3-7,9-10H,8H2,1-2H3
InChIKeyIXAFEUADGBYGMC-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 143235824
cyclopentyl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110662971
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110662993
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
5-(2-chloro-3-fluorophenyl)-1-(2,6-dichlorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one
CID 22648152
5-bromo-1-(2,6-dichlorophenyl)-7-methoxy-3-[(4-methoxyphenyl)methyl]-4H-quinazolin-2-one
CID 22647922
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738406
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110662982
(3R)-3-(2,3-dichloroanilino)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 93235231
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
CID 110662965
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one (CID 154452856) is 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one is COc1ccc2c(c1)N(c1c(Cl)cccc1Cl)C(=O)C(C)C2.
What is the InChIKey of 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is IXAFEUADGBYGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-10-8-11-6-7-12(22-2)9-15(11)20(17(10)21)16-13(18)4-3-5-14(16)19/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one?
1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 336.22 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 154452856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).