2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one

C22H24N2O2S — CID 16533643

IUPAC2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
SMILESCC(C)c1ccccc1-n1c(SCC2CCCO2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N2O2S/c1-15(2)17-9-4-6-12-20(17)24-21(25)18-10-3-5-11-19(18)23-22(24)27-14-16-8-7-13-26-16/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3
InChIKeyGKWNHHUBKYJWOU-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.78
Rot. Bonds5

About 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one

2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one (PubChem CID 16533643) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
PubChem CID16533643
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
SMILESCC(C)c1ccccc1-n1c(SCC2CCCO2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N2O2S/c1-15(2)17-9-4-6-12-20(17)24-21(25)18-10-3-5-11-19(18)23-22(24)27-14-16-8-7-13-26-16/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3
InChIKeyGKWNHHUBKYJWOU-UHFFFAOYSA-N
XLogP4.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
CID 9360924
3-(3,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 4812088
3-(4-ethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 7821490
3-(5-methyl-2-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 95737542
3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
CID 2609669
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one
CID 8602777
2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 4534910
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3908699
2-(oxolan-2-ylmethylsulfanyl)-3-prop-2-enylquinazolin-4-one
CID 78761732
N-[(1R)-1-cyclopropylethyl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 8578255
2-(3-oxobutylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 7503627
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 23960255

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one (CID 16533643) is 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one is CC(C)c1ccccc1-n1c(SCC2CCCO2)nc2ccccc2c1=O.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one?
The InChIKey is GKWNHHUBKYJWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15(2)17-9-4-6-12-20(17)24-21(25)18-10-3-5-11-19(18)23-22(24)27-14-16-8-7-13-26-16/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3.
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one?
2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one has a molecular weight of 380.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one is sourced from PubChem (CID 16533643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).