3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one

C19H16N2O3S — CID 23826057

IUPAC3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
SMILESCc1ccccc1-n1c(SC2CCOC2=O)nc2ccccc2c1=O
InChIInChI=1S/C19H16N2O3S/c1-12-6-2-5-9-15(12)21-17(22)13-7-3-4-8-14(13)20-19(21)25-16-10-11-24-18(16)23/h2-9,16H,10-11H2,1H3
InChIKeyIHCUBLLUQUROMX-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.10
Rot. Bonds3

About 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one

3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one (PubChem CID 23826057) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
PubChem CID23826057
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
SMILESCc1ccccc1-n1c(SC2CCOC2=O)nc2ccccc2c1=O
InChIInChI=1S/C19H16N2O3S/c1-12-6-2-5-9-15(12)21-17(22)13-7-3-4-8-14(13)20-19(21)25-16-10-11-24-18(16)23/h2-9,16H,10-11H2,1H3
InChIKeyIHCUBLLUQUROMX-UHFFFAOYSA-N
XLogP3.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 7419018
7-chloro-3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4782908
3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23936645
3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 17425100
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4845825
3-(4-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 42884625
2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 9407521
3-(2,3-dimethylphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 8858191
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564
3-(2,3-dimethylphenyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one
CID 46683972
7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 2081713

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one (CID 23826057) is 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one is Cc1ccccc1-n1c(SC2CCOC2=O)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The InChIKey is IHCUBLLUQUROMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12-6-2-5-9-15(12)21-17(22)13-7-3-4-8-14(13)20-19(21)25-16-10-11-24-18(16)23/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one has a molecular weight of 352.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 23826057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).