(4-cyclohexylquinolin-3-yl)-phenylmethanone

C22H21NO — CID 71485260

IUPAC(4-cyclohexylquinolin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2ccccc2c1C1CCCCC1
InChIInChI=1S/C22H21NO/c24-22(17-11-5-2-6-12-17)19-15-23-20-14-8-7-13-18(20)21(19)16-9-3-1-4-10-16/h2,5-8,11-16H,1,3-4,9-10H2
InChIKeyMSAJDRCLFCHKEN-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.51
Rot. Bonds3

About (4-cyclohexylquinolin-3-yl)-phenylmethanone

(4-cyclohexylquinolin-3-yl)-phenylmethanone (PubChem CID 71485260) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (4-cyclohexylquinolin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-cyclohexylquinolin-3-yl)-phenylmethanone
PubChem CID71485260
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(4-cyclohexylquinolin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2ccccc2c1C1CCCCC1
InChIInChI=1S/C22H21NO/c24-22(17-11-5-2-6-12-17)19-15-23-20-14-8-7-13-18(20)21(19)16-9-3-1-4-10-16/h2,5-8,11-16H,1,3-4,9-10H2
InChIKeyMSAJDRCLFCHKEN-UHFFFAOYSA-N
XLogP5.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide
CID 126486274
5-benzoyl-2-cyclohexylpyrimidine-4-carboxylic acid
CID 82170447
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
7,12-dicyclohexylbenzo[j]phenanthridine
CID 59183915
(2-cyclohexyl-3-hydroxyphenyl)-phenylmethanone;prop-2-enoic acid
CID 174513742
[2-[4-(cyclohexylamino)quinazolin-2-yl]-3-pyridinyl]-phenylmethanone
CID 23652838
[4-(azepan-1-yl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 20882559
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
CID 167743343
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-[(4-methylcyclohexyl)amino]quinoline-3-carboxylic acid
CID 63510528
4-(cycloheptylamino)quinoline-3-carbothioamide
CID 43669629
4-(oxolan-2-ylmethylsulfanyl)quinoline-3-carboxylic acid
CID 106493768

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylquinolin-3-yl)-phenylmethanone?
The IUPAC name of (4-cyclohexylquinolin-3-yl)-phenylmethanone (CID 71485260) is (4-cyclohexylquinolin-3-yl)-phenylmethanone.
What is the SMILES notation for (4-cyclohexylquinolin-3-yl)-phenylmethanone?
The canonical SMILES for (4-cyclohexylquinolin-3-yl)-phenylmethanone is O=C(c1ccccc1)c1cnc2ccccc2c1C1CCCCC1.
What is the InChIKey of (4-cyclohexylquinolin-3-yl)-phenylmethanone?
The InChIKey is MSAJDRCLFCHKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c24-22(17-11-5-2-6-12-17)19-15-23-20-14-8-7-13-18(20)21(19)16-9-3-1-4-10-16/h2,5-8,11-16H,1,3-4,9-10H2.
What are the key properties of (4-cyclohexylquinolin-3-yl)-phenylmethanone?
(4-cyclohexylquinolin-3-yl)-phenylmethanone has a molecular weight of 315.42 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylquinolin-3-yl)-phenylmethanone is sourced from PubChem (CID 71485260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).