6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one

C18H18ClNO — CID 61083968

IUPAC6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CC(Cl)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C18H18ClNO/c1-12-2-4-13(5-3-12)10-16(19)14-6-8-17-15(11-14)7-9-18(21)20-17/h2-6,8,11,16H,7,9-10H2,1H3,(H,20,21)
InChIKeyWDCQGKKPPZEEBM-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.40
Rot. Bonds3

About 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61083968) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61083968
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CC(Cl)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C18H18ClNO/c1-12-2-4-13(5-3-12)10-16(19)14-6-8-17-15(11-14)7-9-18(21)20-17/h2-6,8,11,16H,7,9-10H2,1H3,(H,20,21)
InChIKeyWDCQGKKPPZEEBM-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[1-chloro-2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61084763
6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085170
6-[chloro-(2,4-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085790
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098523
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 61097737
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
7-(1-chloro-2,2-dimethylbutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62678275
7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465
6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772
6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085173

Frequently Asked Questions

What is the IUPAC name of 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 61083968) is 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(CC(Cl)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WDCQGKKPPZEEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-12-2-4-13(5-3-12)10-16(19)14-6-8-17-15(11-14)7-9-18(21)20-17/h2-6,8,11,16H,7,9-10H2,1H3,(H,20,21).
What are the key properties of 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 299.80 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61083968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).