6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one

C18H24ClNO — CID 63433506

IUPAC6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)CCC3CCCCC3)ccc2N1
InChIInChI=1S/C18H24ClNO/c19-16(9-6-13-4-2-1-3-5-13)14-7-10-17-15(12-14)8-11-18(21)20-17/h7,10,12-13,16H,1-6,8-9,11H2,(H,20,21)
InChIKeyWDBLGXIECFXYKI-UHFFFAOYSA-N
MW305.85 g/mol
LogP5.21
Rot. Bonds4

About 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one

6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63433506) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID63433506
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)CCC3CCCCC3)ccc2N1
InChIInChI=1S/C18H24ClNO/c19-16(9-6-13-4-2-1-3-5-13)14-7-10-17-15(12-14)8-11-18(21)20-17/h7,10,12-13,16H,1-6,8-9,11H2,(H,20,21)
InChIKeyWDBLGXIECFXYKI-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.85
LogP ≤ 55.21
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

5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
CID 61084776
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61080673
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 103162813
6-[2-(2-bicyclo[2.2.1]heptanyl)-1-chloroethyl]-3,4-dihydro-1H-quinolin-2-one
CID 63433461
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
6-[1-chloro-2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61084763

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one (CID 63433506) is 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Cl)CCC3CCCCC3)ccc2N1.
What is the InChIKey of 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WDBLGXIECFXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c19-16(9-6-13-4-2-1-3-5-13)14-7-10-17-15(12-14)8-11-18(21)20-17/h7,10,12-13,16H,1-6,8-9,11H2,(H,20,21).
What are the key properties of 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 305.85 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63433506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).