4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one

C20H20ClNO2 — CID 102443219

IUPAC4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CC(C(=O)c2ccc(Cl)cc2)c2c(C)cc(C)cc21
InChIInChI=1S/C20H20ClNO2/c1-4-22-17-10-12(2)9-13(3)19(17)16(11-18(22)23)20(24)14-5-7-15(21)8-6-14/h5-10,16H,4,11H2,1-3H3
InChIKeyJNGNGXCNIJHVDE-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.68
Rot. Bonds3

About 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one

4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 102443219) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID102443219
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CC(C(=O)c2ccc(Cl)cc2)c2c(C)cc(C)cc21
InChIInChI=1S/C20H20ClNO2/c1-4-22-17-10-12(2)9-13(3)19(17)16(11-18(22)23)20(24)14-5-7-15(21)8-6-14/h5-10,16H,4,11H2,1-3H3
InChIKeyJNGNGXCNIJHVDE-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-Chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
1-[8-(2-acetyl-phenyl)-2-chloro-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl]-ethanone
CID 44409072
N-(3-{1-[4-(4-chlorophenyl)-4-oxobutyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 10137322
N-(3-{1-[4-(4-chlorophenyl)-4-oxobutyl)-4-piperidinyl]phenyl}-acetamide
CID 16756402
4-chloro-N-[[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
CID 142580334
7-[4-(5-Chloro-2-methylphenyl)piperazine-1-carbonyl]-2-propyl-2,3-dihydro-1H-isoindol-1-one
CID 5309255
(4-chlorophenyl)[4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)piperidin-1-yl]methanone
CID 16487558
1-(3-{[3-(4-Chloro-2-methylbenzoyl)-1-piperidinyl]carbonyl}phenyl)-2-pyrrolidinone
CID 24794074
3-[[3,5-bis(trifluoromethyl)benzoyl]-methylamino]-4-(4-chlorophenyl)-N,N-dimethylbenzamide
CID 44305271
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,5-dimethylphenyl)piperidin-1-yl]butyl]benzamide
CID 44532367
1-(3-Acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 57391030
9-chloro-6H-benzo[i]phenanthridine-1,4,5-trione
CID 137633618

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one (CID 102443219) is 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CC(C(=O)c2ccc(Cl)cc2)c2c(C)cc(C)cc21.
What is the InChIKey of 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is JNGNGXCNIJHVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-4-22-17-10-12(2)9-13(3)19(17)16(11-18(22)23)20(24)14-5-7-15(21)8-6-14/h5-10,16H,4,11H2,1-3H3.
What are the key properties of 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one?
4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 341.84 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-1-ethyl-5,7-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 102443219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).