3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one

C12H14N2O2S — CID 938390

IUPAC3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one
SMILESCOn1c(SC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C12H14N2O2S/c1-8(2)17-12-13-10-7-5-4-6-9(10)11(15)14(12)16-3/h4-8H,1-3H3
InChIKeyFQIHYQUHCCSUFP-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds3

About 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one

3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one (PubChem CID 938390) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one
PubChem CID938390
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one
SMILESCOn1c(SC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C12H14N2O2S/c1-8(2)17-12-13-10-7-5-4-6-9(10)11(15)14(12)16-3/h4-8H,1-3H3
InChIKeyFQIHYQUHCCSUFP-UHFFFAOYSA-N
XLogP1.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 942363
(2R)-2-[2-[(1S)-1-cyanoethyl]sulfanyl-4-oxoquinazolin-3-yl]oxypropanenitrile
CID 935836
2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one
CID 936945
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
2-(bromomethyl)-3-methoxyquinazolin-4-one
CID 59898751
3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
CID 2365337
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
(2S)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoic acid
CID 10539544
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanenitrile
CID 7427802
2-(1-chloroethyl)-3-(2-methoxypropyl)quinazolin-4-one
CID 102700303
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
CID 661998
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one?
The IUPAC name of 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one (CID 938390) is 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one?
The canonical SMILES for 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one is COn1c(SC(C)C)nc2ccccc2c1=O.
What is the InChIKey of 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one?
The InChIKey is FQIHYQUHCCSUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8(2)17-12-13-10-7-5-4-6-9(10)11(15)14(12)16-3/h4-8H,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one?
3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one has a molecular weight of 250.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one is sourced from PubChem (CID 938390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).