7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one

C19H15ClN2O3S — CID 2081713

IUPAC7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
SMILESCc1ccc(-n2c(S[C@H]3CCOC3=O)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-11-2-5-13(6-3-11)22-17(23)14-7-4-12(20)10-15(14)21-19(22)26-16-8-9-25-18(16)24/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1
InChIKeyKZFOCIDFXYEGLJ-INIZCTEOSA-N
MW386.86 g/mol
LogP3.76
Rot. Bonds3

About 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one

7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one (PubChem CID 2081713) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
PubChem CID2081713
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
SMILESCc1ccc(-n2c(S[C@H]3CCOC3=O)nc3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-11-2-5-13(6-3-11)22-17(23)14-7-4-12(20)10-15(14)21-19(22)26-16-8-9-25-18(16)24/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1
InChIKeyKZFOCIDFXYEGLJ-INIZCTEOSA-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

7-chloro-3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4782908
7-chloro-3-[[(2R)-oxolan-2-yl]methyl]-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 7739443
7-chloro-3-(furan-2-ylmethyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 2567846
(3R)-3-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 2088382
3-(4-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 42884625
3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23936645
3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23826057
7-chloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one
CID 2086414
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-methylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7459412
3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 7419018

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The IUPAC name of 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one (CID 2081713) is 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The canonical SMILES for 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one is Cc1ccc(-n2c(S[C@H]3CCOC3=O)nc3cc(Cl)ccc3c2=O)cc1.
What is the InChIKey of 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
The InChIKey is KZFOCIDFXYEGLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-11-2-5-13(6-3-11)22-17(23)14-7-4-12(20)10-15(14)21-19(22)26-16-8-9-25-18(16)24/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1.
What are the key properties of 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one?
7-chloro-3-(4-methylphenyl)-2-[(3S)-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 7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one is sourced from PubChem (CID 2081713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).