5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one

C17H14ClFN2O — CID 145212727

IUPAC5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one
SMILESCCc1nc2c(C)ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O/c1-3-14-20-16-10(2)7-8-13(18)15(16)17(22)21(14)12-6-4-5-11(19)9-12/h4-9H,3H2,1-2H3
InChIKeyXMOARUPWBCLOSS-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.05
Rot. Bonds2

About 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one

5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one (PubChem CID 145212727) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one
PubChem CID145212727
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one
SMILESCCc1nc2c(C)ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2O/c1-3-14-20-16-10(2)7-8-13(18)15(16)17(22)21(14)12-6-4-5-11(19)9-12/h4-9H,3H2,1-2H3
InChIKeyXMOARUPWBCLOSS-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one
CID 144759676
2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
CID 114693017
5-cyclopentylsulfinyl-2-ethyl-3-(3-fluorophenyl)quinazolin-4-one
CID 166785329
3-[5,8-difluoro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]propylcarbamic acid
CID 90236714
3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835112
3-(6-amino-4-methyl-3-pyridinyl)-5,8-dichloro-2-ethylquinazolin-4-one
CID 134364837
3-(chloromethyl)-5-ethyl-4-(3-fluorophenyl)-1,2,4-triazole
CID 83968054
3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
CID 135244703
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]carbamic acid
CID 137463939
ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one
CID 144810862
[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]-3-methylbutyl]carbamic acid
CID 90235469
3-[2-(2-aminoethyl)-5-fluoro-8-methyl-4-oxoquinazolin-3-yl]-5-fluorobenzonitrile
CID 90236958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one (CID 145212727) is 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one is CCc1nc2c(C)ccc(Cl)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one?
The InChIKey is XMOARUPWBCLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-3-14-20-16-10(2)7-8-13(18)15(16)17(22)21(14)12-6-4-5-11(19)9-12/h4-9H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one?
5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one has a molecular weight of 316.76 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one is sourced from PubChem (CID 145212727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).