3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one

C22H22N2O2S — CID 8980572

IUPAC3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESCc1ccc(C)c(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C22H22N2O2S/c1-13-8-9-14(2)18(12-13)20(25)15(3)27-22-23-19-7-5-4-6-17(19)21(26)24(22)16-10-11-16/h4-9,12,15-16H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyZMNFKYZXMLALMG-OAHLLOKOSA-N
MW378.50 g/mol
LogP4.71
Rot. Bonds5

About 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one

3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one (PubChem CID 8980572) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
PubChem CID8980572
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESCc1ccc(C)c(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C22H22N2O2S/c1-13-8-9-14(2)18(12-13)20(25)15(3)27-22-23-19-7-5-4-6-17(19)21(26)24(22)16-10-11-16/h4-9,12,15-16H,10-11H2,1-3H3/t15-/m1/s1
InChIKeyZMNFKYZXMLALMG-OAHLLOKOSA-N
XLogP4.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one with MolForge

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Related Compounds

3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
3-cyclopropyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 46611264
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 8980500
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980654
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
3-cyclopropyl-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980460
(2R)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 9320924
3-cyclopropyl-2-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980553

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one (CID 8980572) is 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one is Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The InChIKey is ZMNFKYZXMLALMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-13-8-9-14(2)18(12-13)20(25)15(3)27-22-23-19-7-5-4-6-17(19)21(26)24(22)16-10-11-16/h4-9,12,15-16H,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one has a molecular weight of 378.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one is sourced from PubChem (CID 8980572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).