2-cyclohexyl-1-phenylquinolin-4-one

C21H21NO — CID 59052660

IUPAC2-cyclohexyl-1-phenylquinolin-4-one
SMILESO=c1cc(C2CCCCC2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H21NO/c23-21-15-20(16-9-3-1-4-10-16)22(17-11-5-2-6-12-17)19-14-8-7-13-18(19)21/h2,5-8,11-16H,1,3-4,9-10H2
InChIKeyUMKWMWWQZULRQJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.04
Rot. Bonds2

About 2-cyclohexyl-1-phenylquinolin-4-one

2-cyclohexyl-1-phenylquinolin-4-one (PubChem CID 59052660) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-phenylquinolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-1-phenylquinolin-4-one
PubChem CID59052660
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-cyclohexyl-1-phenylquinolin-4-one
SMILESO=c1cc(C2CCCCC2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H21NO/c23-21-15-20(16-9-3-1-4-10-16)22(17-11-5-2-6-12-17)19-14-8-7-13-18(19)21/h2,5-8,11-16H,1,3-4,9-10H2
InChIKeyUMKWMWWQZULRQJ-UHFFFAOYSA-N
XLogP5.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[3-(2-cyclopentylindol-1-yl)phenyl]indole
CID 59236789
3-cyclohexyl-1-phenyl-2-propan-2-ylindole
CID 102225652
9-(3-cyclopentylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 168805817
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
2-(3-chlorophenyl)-1-phenylquinolin-4-one
CID 102171684
cyclohexyl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158356675
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539667
3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 177275872
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428340
2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
CID 14621245

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-phenylquinolin-4-one?
The IUPAC name of 2-cyclohexyl-1-phenylquinolin-4-one (CID 59052660) is 2-cyclohexyl-1-phenylquinolin-4-one.
What is the SMILES notation for 2-cyclohexyl-1-phenylquinolin-4-one?
The canonical SMILES for 2-cyclohexyl-1-phenylquinolin-4-one is O=c1cc(C2CCCCC2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-cyclohexyl-1-phenylquinolin-4-one?
The InChIKey is UMKWMWWQZULRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c23-21-15-20(16-9-3-1-4-10-16)22(17-11-5-2-6-12-17)19-14-8-7-13-18(19)21/h2,5-8,11-16H,1,3-4,9-10H2.
What are the key properties of 2-cyclohexyl-1-phenylquinolin-4-one?
2-cyclohexyl-1-phenylquinolin-4-one has a molecular weight of 303.41 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-phenylquinolin-4-one is sourced from PubChem (CID 59052660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).