2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one

C17H22N2OS — CID 10086293

IUPAC2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(SC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H22N2OS/c1-12(2)19-16(20)14-10-6-7-11-15(14)18-17(19)21-13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyAQXMZFSTNONZHQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.40
Rot. Bonds3

About 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one

2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one (PubChem CID 10086293) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
PubChem CID10086293
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(SC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C17H22N2OS/c1-12(2)19-16(20)14-10-6-7-11-15(14)18-17(19)21-13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyAQXMZFSTNONZHQ-UHFFFAOYSA-N
XLogP4.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 60620109
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 84840131
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanenitrile
CID 7427802
2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
CID 24654189
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
N-(dicyclopropylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 31191233
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 60564006
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 11926043
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 11926045
N-cyclooctyl-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2700682
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 7628835

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one (CID 10086293) is 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one is CC(C)n1c(SC2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one?
The InChIKey is AQXMZFSTNONZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)19-16(20)14-10-6-7-11-15(14)18-17(19)21-13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one?
2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one has a molecular weight of 302.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 10086293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).