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

C19H15ClN2O3S — CID 23936645

IUPAC3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
SMILESCc1c(Cl)cccc1-n1c(SC2CCOC2=O)nc2ccccc2c1=O
InChIInChI=1S/C19H15ClN2O3S/c1-11-13(20)6-4-8-15(11)22-17(23)12-5-2-3-7-14(12)21-19(22)26-16-9-10-25-18(16)24/h2-8,16H,9-10H2,1H3
InChIKeyNACSVCLJRDPULP-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.76
Rot. Bonds3

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

3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one (PubChem CID 23936645) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
PubChem CID23936645
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
SMILESCc1c(Cl)cccc1-n1c(SC2CCOC2=O)nc2ccccc2c1=O
InChIInChI=1S/C19H15ClN2O3S/c1-11-13(20)6-4-8-15(11)22-17(23)12-5-2-3-7-14(12)21-19(22)26-16-9-10-25-18(16)24/h2-8,16H,9-10H2,1H3
InChIKeyNACSVCLJRDPULP-UHFFFAOYSA-N
XLogP3.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.76
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
3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23826057
3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 17425100
7-chloro-3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4782908
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
3-(3-chloro-2-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2372997
3-(3-chloro-2-methylphenyl)-2-(cyclohexylmethylsulfanyl)quinazolin-4-one
CID 7853586
3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 60564067
3-(2,3-dimethylphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one
CID 8858191
1-[2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid
CID 2435981
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-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one (CID 23936645) is 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one is Cc1c(Cl)cccc1-n1c(SC2CCOC2=O)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The InChIKey is NACSVCLJRDPULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-11-13(20)6-4-8-15(11)22-17(23)12-5-2-3-7-14(12)21-19(22)26-16-9-10-25-18(16)24/h2-8,16H,9-10H2,1H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one has a molecular weight of 386.86 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 23936645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).