cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

C27H39NO — CID 160609832

IUPACcyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCc2cc(C3CC3CCC3CCCCC3)ccc21
InChIInChI=1S/C27H39NO/c29-27(21-10-5-2-6-11-21)28-17-7-12-24-18-22(15-16-26(24)28)25-19-23(25)14-13-20-8-3-1-4-9-20/h15-16,18,20-21,23,25H,1-14,17,19H2
InChIKeyRFJDYDVFPADOKW-UHFFFAOYSA-N
MW393.62 g/mol
LogP7.01
Rot. Bonds5

About cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone

cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 160609832) has the molecular formula C27H39NO and a molecular weight of 393.62 g/mol. Its IUPAC name is cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID160609832
Molecular FormulaC27H39NO
Molecular Weight393.62 g/mol
Exact Mass393.30
IUPAC Namecyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCc2cc(C3CC3CCC3CCCCC3)ccc21
InChIInChI=1S/C27H39NO/c29-27(21-10-5-2-6-11-21)28-17-7-12-24-18-22(15-16-26(24)28)25-19-23(25)14-13-20-8-3-1-4-9-20/h15-16,18,20-21,23,25H,1-14,17,19H2
InChIKeyRFJDYDVFPADOKW-UHFFFAOYSA-N
XLogP7.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
[6-(2-chloroethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82260536
5-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]pentanoic acid
CID 82260166
2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82259087
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
2-bromo-1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropan-1-one
CID 82258968
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82260509
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 160609832) is cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(C1CCCCC1)N1CCCc2cc(C3CC3CCC3CCCCC3)ccc21.
What is the InChIKey of cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is RFJDYDVFPADOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO/c29-27(21-10-5-2-6-11-21)28-17-7-12-24-18-22(15-16-26(24)28)25-19-23(25)14-13-20-8-3-1-4-9-20/h15-16,18,20-21,23,25H,1-14,17,19H2.
What are the key properties of cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone?
cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 393.62 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[6-[2-(2-cyclohexylethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 160609832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).