1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

C18H23NO2 — CID 110737681

IUPAC1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2C(=O)C1CCCCC1
InChIInChI=1S/C18H23NO2/c1-13(20)15-9-10-17-16(12-15)8-5-11-19(17)18(21)14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3
InChIKeyNDKZDGKZNGAPEJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.75
Rot. Bonds2

About 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone

1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 110737681) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID110737681
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCCN2C(=O)C1CCCCC1
InChIInChI=1S/C18H23NO2/c1-13(20)15-9-10-17-16(12-15)8-5-11-19(17)18(21)14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3
InChIKeyNDKZDGKZNGAPEJ-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82259087
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 160609832
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 110737681) is 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is CC(=O)c1ccc2c(c1)CCCN2C(=O)C1CCCCC1.
What is the InChIKey of 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is NDKZDGKZNGAPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(20)15-9-10-17-16(12-15)8-5-11-19(17)18(21)14-6-3-2-4-7-14/h9-10,12,14H,2-8,11H2,1H3.
What are the key properties of 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 285.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 110737681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).