5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one

C21H21FN2O2S — CID 166785329

IUPAC5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one
SMILESCCc1nc2cccc(S(=O)C3CCCC3)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C21H21FN2O2S/c1-2-19-23-17-11-6-12-18(27(26)16-9-3-4-10-16)20(17)21(25)24(19)15-8-5-7-14(22)13-15/h5-8,11-13,16H,2-4,9-10H2,1H3
InChIKeyWKHWSABYNKLJMU-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.14
Rot. Bonds4

About 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one

5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one (PubChem CID 166785329) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one
PubChem CID166785329
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one
SMILESCCc1nc2cccc(S(=O)C3CCCC3)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C21H21FN2O2S/c1-2-19-23-17-11-6-12-18(27(26)16-9-3-4-10-16)20(17)21(25)24(19)15-8-5-7-14(22)13-15/h5-8,11-13,16H,2-4,9-10H2,1H3
InChIKeyWKHWSABYNKLJMU-UHFFFAOYSA-N
XLogP4.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one
CID 145212727
3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
CID 135244703
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
2-ethyl-3-phenylquinazolin-4-one
CID 719985
5-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508
3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835112
ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one
CID 144810862
2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
CID 90235944
[cyclopropyl-[3-(3-fluorophenyl)-5-methylsulfonyl-4-oxoquinazolin-2-yl]methyl]carbamic acid
CID 118677826
2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
CID 144954674
1-(3,5-difluorophenyl)-2-ethylbenzimidazole
CID 155179234

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one?
The IUPAC name of 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one (CID 166785329) is 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one is CCc1nc2cccc(S(=O)C3CCCC3)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one?
The InChIKey is WKHWSABYNKLJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-2-19-23-17-11-6-12-18(27(26)16-9-3-4-10-16)20(17)21(25)24(19)15-8-5-7-14(22)13-15/h5-8,11-13,16H,2-4,9-10H2,1H3.
What are the key properties of 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one?
5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one has a molecular weight of 384.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 166785329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).