8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one

C10H8ClFN2O — CID 136743464

IUPAC8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one
SMILESCCc1nc2c(Cl)cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C10H8ClFN2O/c1-2-8-13-9-6(10(15)14-8)3-5(12)4-7(9)11/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyBXPLTFYXZVZACN-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.28
Rot. Bonds1

About 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one

8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one (PubChem CID 136743464) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one
PubChem CID136743464
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one
SMILESCCc1nc2c(Cl)cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C10H8ClFN2O/c1-2-8-13-9-6(10(15)14-8)3-5(12)4-7(9)11/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyBXPLTFYXZVZACN-UHFFFAOYSA-N
XLogP2.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid
CID 158737305
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
CID 55197104
8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine
CID 63479104
8-chloro-6-fluoro-2,3-dimethylquinolin-4-amine
CID 62203582
6-bromo-2-(chloromethyl)-8-methyl-3H-quinazolin-4-one
CID 136862960
6-(3,5-difluorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514135
8-chloro-6-fluoro-N,2,3-trimethylquinolin-4-amine
CID 62203429
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
CID 158824343
7-bromo-6-chloro-2-ethylsulfanyl-8-fluoro-3H-quinazolin-4-one
CID 166165372
8-bromo-6-fluoro-2-piperidin-1-yl-3H-quinazolin-4-one;8-chloro-6-fluoro-2-morpholin-4-yl-3H-quinazolin-4-one;methane
CID 165005554
2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
CID 106505502
2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136769785

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one (CID 136743464) is 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one is CCc1nc2c(Cl)cc(F)cc2c(=O)[nH]1.
What is the InChIKey of 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one?
The InChIKey is BXPLTFYXZVZACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-2-8-13-9-6(10(15)14-8)3-5(12)4-7(9)11/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one?
8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one has a molecular weight of 226.64 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethyl-6-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 136743464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).