3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one

C16H20N2OS — CID 154830982

IUPAC3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
SMILESCSc1nc2ccccc2c(=O)n1C1CCC(C)CC1
InChIInChI=1S/C16H20N2OS/c1-11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)17-16(18)20-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKYCDQHKWXBPFCK-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.87
Rot. Bonds2

About 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one

3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one (PubChem CID 154830982) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
PubChem CID154830982
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
SMILESCSc1nc2ccccc2c(=O)n1C1CCC(C)CC1
InChIInChI=1S/C16H20N2OS/c1-11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)17-16(18)20-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyKYCDQHKWXBPFCK-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 46611264
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095
ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate
CID 42805883
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 51217052
3-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 18203552
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylacetamide
CID 8982041
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 9362378
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-cyclopropylquinazolin-4-one
CID 8980128
3-cyclohexyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 42968012
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 51217015
3-cyclopropyl-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8980119

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one?
The IUPAC name of 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one (CID 154830982) is 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one?
The canonical SMILES for 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one is CSc1nc2ccccc2c(=O)n1C1CCC(C)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one?
The InChIKey is KYCDQHKWXBPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)17-16(18)20-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one?
3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one has a molecular weight of 288.42 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one is sourced from PubChem (CID 154830982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).