3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one

C20H18N2O3S — CID 7419018

IUPAC3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
SMILESCc1cccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)c1C
InChIInChI=1S/C20H18N2O3S/c1-12-6-5-9-16(13(12)2)22-18(23)14-7-3-4-8-15(14)21-20(22)26-17-10-11-25-19(17)24/h3-9,17H,10-11H2,1-2H3/t17-/m1/s1
InChIKeyWKJPQSGPWJQONR-QGZVFWFLSA-N
MW366.44 g/mol
LogP3.41
Rot. Bonds3

About 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one

3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one (PubChem CID 7419018) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
PubChem CID7419018
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
SMILESCc1cccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)c1C
InChIInChI=1S/C20H18N2O3S/c1-12-6-5-9-16(13(12)2)22-18(23)14-7-3-4-8-15(14)21-20(22)26-17-10-11-25-19(17)24/h3-9,17H,10-11H2,1-2H3/t17-/m1/s1
InChIKeyWKJPQSGPWJQONR-QGZVFWFLSA-N
XLogP3.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23826057
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-(2,3-dimethylphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 8858191
7-chloro-3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4782908
3-(2,3-dimethylphenyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one
CID 46683972
3-(4-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 42884625
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4845825
2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 9407521
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
(2R)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 7419012
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The IUPAC name of 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one (CID 7419018) is 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one is Cc1cccc(-n2c(S[C@@H]3CCOC3=O)nc3ccccc3c2=O)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The InChIKey is WKJPQSGPWJQONR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-12-6-5-9-16(13(12)2)22-18(23)14-7-3-4-8-15(14)21-20(22)26-17-10-11-25-19(17)24/h3-9,17H,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one has a molecular weight of 366.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one is sourced from PubChem (CID 7419018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).