1-cyclohexyl-3-quinolin-4-ylpropan-2-one

C18H21NO — CID 114979761

IUPAC1-cyclohexyl-3-quinolin-4-ylpropan-2-one
SMILESO=C(Cc1ccnc2ccccc12)CC1CCCCC1
InChIInChI=1S/C18H21NO/c20-16(12-14-6-2-1-3-7-14)13-15-10-11-19-18-9-5-4-8-17(15)18/h4-5,8-11,14H,1-3,6-7,12-13H2
InChIKeyMRNVXUJKNXSHMD-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.32
Rot. Bonds4

About 1-cyclohexyl-3-quinolin-4-ylpropan-2-one

1-cyclohexyl-3-quinolin-4-ylpropan-2-one (PubChem CID 114979761) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-quinolin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-quinolin-4-ylpropan-2-one
PubChem CID114979761
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-cyclohexyl-3-quinolin-4-ylpropan-2-one
SMILESO=C(Cc1ccnc2ccccc12)CC1CCCCC1
InChIInChI=1S/C18H21NO/c20-16(12-14-6-2-1-3-7-14)13-15-10-11-19-18-9-5-4-8-17(15)18/h4-5,8-11,14H,1-3,6-7,12-13H2
InChIKeyMRNVXUJKNXSHMD-UHFFFAOYSA-N
XLogP4.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-quinolin-4-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509
2-cyclohexyl-1-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134712272
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
CID 178187525
1-cyclohexyl-3-(2-fluorophenyl)propan-2-one
CID 61078076
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961
1-cycloheptyl-3-(3-methyl-2-pyridinyl)propan-2-one
CID 114458215

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-quinolin-4-ylpropan-2-one?
The IUPAC name of 1-cyclohexyl-3-quinolin-4-ylpropan-2-one (CID 114979761) is 1-cyclohexyl-3-quinolin-4-ylpropan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-quinolin-4-ylpropan-2-one?
The canonical SMILES for 1-cyclohexyl-3-quinolin-4-ylpropan-2-one is O=C(Cc1ccnc2ccccc12)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-quinolin-4-ylpropan-2-one?
The InChIKey is MRNVXUJKNXSHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-16(12-14-6-2-1-3-7-14)13-15-10-11-19-18-9-5-4-8-17(15)18/h4-5,8-11,14H,1-3,6-7,12-13H2.
What are the key properties of 1-cyclohexyl-3-quinolin-4-ylpropan-2-one?
1-cyclohexyl-3-quinolin-4-ylpropan-2-one has a molecular weight of 267.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-quinolin-4-ylpropan-2-one is sourced from PubChem (CID 114979761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).