4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one

C16H21NO — CID 114762215

IUPAC4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one
SMILESCC1Cc2ccccc2N(C2CCC(=O)CC2)C1
InChIInChI=1S/C16H21NO/c1-12-10-13-4-2-3-5-16(13)17(11-12)14-6-8-15(18)9-7-14/h2-5,12,14H,6-11H2,1H3
InChIKeyJQZZBIGBYWEJJN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.20
Rot. Bonds1

About 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one

4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one (PubChem CID 114762215) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one
PubChem CID114762215
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one
SMILESCC1Cc2ccccc2N(C2CCC(=O)CC2)C1
InChIInChI=1S/C16H21NO/c1-12-10-13-4-2-3-5-16(13)17(11-12)14-6-8-15(18)9-7-14/h2-5,12,14H,6-11H2,1H3
InChIKeyJQZZBIGBYWEJJN-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-amine
CID 114763315
(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11298239
3-methyl-1-piperidin-3-yl-3,4-dihydro-2H-quinoline
CID 63524612
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylcyclohexan-1-amine
CID 114763316
(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
CID 102451637
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cycloheptane-1-carboxylic acid
CID 63530964
3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclopent-2-en-1-one
CID 104787921
[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclobutyl]methanamine
CID 80999104
2-bromo-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-thiadiazole
CID 64622242
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
3-methyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115550530

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one (CID 114762215) is 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one is CC1Cc2ccccc2N(C2CCC(=O)CC2)C1.
What is the InChIKey of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one?
The InChIKey is JQZZBIGBYWEJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-10-13-4-2-3-5-16(13)17(11-12)14-6-8-15(18)9-7-14/h2-5,12,14H,6-11H2,1H3.
What are the key properties of 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one?
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one has a molecular weight of 243.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 114762215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).