6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one

C23H24ClN3O2S — CID 177056292

IUPAC6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one
SMILESCCn1c(SC(C)(C(=O)N2CCCC2)c2ccccc2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C23H24ClN3O2S/c1-3-27-20(28)18-15-17(24)11-12-19(18)25-22(27)30-23(2,16-9-5-4-6-10-16)21(29)26-13-7-8-14-26/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3
InChIKeyGFTTYOKBKPAJMY-UHFFFAOYSA-N
MW441.98 g/mol
LogP4.70
Rot. Bonds5

About 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one

6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one (PubChem CID 177056292) has the molecular formula C23H24ClN3O2S and a molecular weight of 441.98 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one
PubChem CID177056292
Molecular FormulaC23H24ClN3O2S
Molecular Weight441.98 g/mol
Exact Mass441.13
IUPAC Name6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one
SMILESCCn1c(SC(C)(C(=O)N2CCCC2)c2ccccc2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C23H24ClN3O2S/c1-3-27-20(28)18-15-17(24)11-12-19(18)25-22(27)30-23(2,16-9-5-4-6-10-16)21(29)26-13-7-8-14-26/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3
InChIKeyGFTTYOKBKPAJMY-UHFFFAOYSA-N
XLogP4.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-ethyl-2-[(1S)-2-oxo-1-phenyl-2-piperazin-1-ylethyl]sulfanylquinazolin-4-one
CID 177055989
(2R)-1-[(2R)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-2-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 177054248
6-chloro-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 7355928
ethyl 2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetate
CID 177056525
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
2-[1-[2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetyl]azetidin-3-yl]-N-methylacetamide
CID 177055973
6-chloro-3-ethyl-2-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one;ethane;3-formamido-N-(3-methylpentyl)-N-propylpropanamide
CID 177056534
tert-butyl 4-[(2R)-2-[(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)-methylamino]-2-phenylacetyl]piperazine-1-carboxylate
CID 177056148
3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
6-chloro-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 7691733
6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 112776292

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one?
The IUPAC name of 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one (CID 177056292) is 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one is CCn1c(SC(C)(C(=O)N2CCCC2)c2ccccc2)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one?
The InChIKey is GFTTYOKBKPAJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S/c1-3-27-20(28)18-15-17(24)11-12-19(18)25-22(27)30-23(2,16-9-5-4-6-10-16)21(29)26-13-7-8-14-26/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one?
6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one has a molecular weight of 441.98 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-(1-oxo-2-phenyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 177056292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).