3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one

C20H17FN2O3S — CID 8981402

IUPAC3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCOc1ccc(F)cc1C(=O)CSc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C20H17FN2O3S/c1-26-18-9-6-12(21)10-15(18)17(24)11-27-20-22-16-5-3-2-4-14(16)19(25)23(20)13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyOYTRAHXKFZFXJZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.85
Rot. Bonds6

About 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one

3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 8981402) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID8981402
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCOc1ccc(F)cc1C(=O)CSc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C20H17FN2O3S/c1-26-18-9-6-12(21)10-15(18)17(24)11-27-20-22-16-5-3-2-4-14(16)19(25)23(20)13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyOYTRAHXKFZFXJZ-UHFFFAOYSA-N
XLogP3.85
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-2-[2-(2,5-difluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8980370
3-(2,4-difluorophenyl)-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 24618176
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 8979950
2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 24618686
3-cyclopropyl-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8980119
2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 135558784
N-(5-acetamido-2-methoxyphenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 55404752
methyl 2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 24617665
3-cyclopropyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 9381565
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46668886
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 8980245
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-cyclohexylquinazolin-4-one
CID 4596643

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (CID 8981402) is 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is COc1ccc(F)cc1C(=O)CSc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is OYTRAHXKFZFXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-26-18-9-6-12(21)10-15(18)17(24)11-27-20-22-16-5-3-2-4-14(16)19(25)23(20)13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3.
What are the key properties of 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 384.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 8981402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).