6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one

C14H17ClN2OS — CID 112776292

IUPAC6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
SMILESCCSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C
InChIInChI=1S/C14H17ClN2OS/c1-4-19-14-16-12-6-5-10(15)7-11(12)13(18)17(14)8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyOZOROQUBSSVCLG-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.82
Rot. Bonds4

About 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one

6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one (PubChem CID 112776292) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
PubChem CID112776292
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
SMILESCCSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C
InChIInChI=1S/C14H17ClN2OS/c1-4-19-14-16-12-6-5-10(15)7-11(12)13(18)17(14)8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyOZOROQUBSSVCLG-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 7355891
N-butyl-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7691661
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 16509998
6-chloro-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 7355928
3-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylpropane-1-sulfonamide
CID 52880185
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7691725
6-chloro-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 7630617
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-6-chloro-3-(2-methylpropyl)quinazolin-4-one
CID 39061956
6-chloro-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 16510083
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 52692789
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide
CID 40930213
6-chloro-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 7691733

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one?
The IUPAC name of 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one (CID 112776292) is 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one is CCSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C.
What is the InChIKey of 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one?
The InChIKey is OZOROQUBSSVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-4-19-14-16-12-6-5-10(15)7-11(12)13(18)17(14)8-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one?
6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one has a molecular weight of 296.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one is sourced from PubChem (CID 112776292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).