1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone

C23H23NO — CID 145465094

IUPAC1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H23NO/c1-16(25)21-15-23(24-22-10-6-5-9-20(21)22)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3
InChIKeyKSUUZGQTKIOOFH-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.15
Rot. Bonds3

About 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone

1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone (PubChem CID 145465094) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
PubChem CID145465094
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H23NO/c1-16(25)21-15-23(24-22-10-6-5-9-20(21)22)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3
InChIKeyKSUUZGQTKIOOFH-UHFFFAOYSA-N
XLogP6.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 4516242
N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 6024659
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
2-(3-cyclohexylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955732
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone?
The IUPAC name of 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone (CID 145465094) is 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone is CC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12.
What is the InChIKey of 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone?
The InChIKey is KSUUZGQTKIOOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-16(25)21-15-23(24-22-10-6-5-9-20(21)22)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3.
What are the key properties of 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone?
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone has a molecular weight of 329.44 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone is sourced from PubChem (CID 145465094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).