3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one

C20H17FN2O2S — CID 8981095

IUPAC3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESC[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O2S/c1-12(18(24)13-6-8-14(21)9-7-13)26-20-22-17-5-3-2-4-16(17)19(25)23(20)15-10-11-15/h2-9,12,15H,10-11H2,1H3/t12-/m0/s1
InChIKeyIAFWTUHJUDPWKL-LBPRGKRZSA-N
MW368.43 g/mol
LogP4.23
Rot. Bonds5

About 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one

3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one (PubChem CID 8981095) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
PubChem CID8981095
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESC[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O2S/c1-12(18(24)13-6-8-14(21)9-7-13)26-20-22-17-5-3-2-4-16(17)19(25)23(20)15-10-11-15/h2-9,12,15H,10-11H2,1H3/t12-/m0/s1
InChIKeyIAFWTUHJUDPWKL-LBPRGKRZSA-N
XLogP4.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one with MolForge

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Related Compounds

3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
3-cyclopropyl-2-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980572
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
4-[[(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]amino]benzamide
CID 8980730
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)-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
2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 9360498
(2R)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8980651
N-(cyclopropylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 46666399
3-cyclopropyl-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980460

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one (CID 8981095) is 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one is C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The InChIKey is IAFWTUHJUDPWKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-12(18(24)13-6-8-14(21)9-7-13)26-20-22-17-5-3-2-4-16(17)19(25)23(20)15-10-11-15/h2-9,12,15H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one has a molecular weight of 368.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one is sourced from PubChem (CID 8981095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).