3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one

C16H10F4N2O — CID 135244703

IUPAC3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
SMILESCCc1nc2ccc(F)c(F)c2c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H10F4N2O/c1-2-13-21-12-4-3-11(19)15(20)14(12)16(23)22(13)10-6-8(17)5-9(18)7-10/h3-7H,2H2,1H3
InChIKeyTVXYKXCFYCYRJW-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.50
Rot. Bonds2

About 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one

3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one (PubChem CID 135244703) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
PubChem CID135244703
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
SMILESCCc1nc2ccc(F)c(F)c2c(=O)n1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H10F4N2O/c1-2-13-21-12-4-3-11(19)15(20)14(12)16(23)22(13)10-6-8(17)5-9(18)7-10/h3-7H,2H2,1H3
InChIKeyTVXYKXCFYCYRJW-UHFFFAOYSA-N
XLogP3.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropyl)-3-(3,5-difluorophenyl)-5,6-difluoroquinazolin-4-one
CID 90237050
1-(3,5-difluorophenyl)-2-ethylbenzimidazole
CID 155179234
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79046056
5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one
CID 144759676
5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one
CID 166785329
2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
CID 61064933
5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one
CID 145212727
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-8-fluoro-5-methylquinazolin-4-one
CID 90234981
2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one
CID 90232497
[3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl N-tert-butylcarbamate
CID 140810079
2-(3,4-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one
CID 144835469
3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835112

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one?
The IUPAC name of 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one (CID 135244703) is 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one is CCc1nc2ccc(F)c(F)c2c(=O)n1-c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one?
The InChIKey is TVXYKXCFYCYRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c1-2-13-21-12-4-3-11(19)15(20)14(12)16(23)22(13)10-6-8(17)5-9(18)7-10/h3-7H,2H2,1H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one?
3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one has a molecular weight of 322.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one is sourced from PubChem (CID 135244703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).