2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one

C11H10ClFN2O — CID 114693381

IUPAC2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one
SMILESCCn1c(Cl)nc2cc(F)c(C)cc2c1=O
InChIInChI=1S/C11H10ClFN2O/c1-3-15-10(16)7-4-6(2)8(13)5-9(7)14-11(15)12/h4-5H,3H2,1-2H3
InChIKeyKDLYNIFXBRGITL-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one

2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one (PubChem CID 114693381) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one.

Molecular Properties

Compound Name2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one
PubChem CID114693381
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one
SMILESCCn1c(Cl)nc2cc(F)c(C)cc2c1=O
InChIInChI=1S/C11H10ClFN2O/c1-3-15-10(16)7-4-6(2)8(13)5-9(7)14-11(15)12/h4-5H,3H2,1-2H3
InChIKeyKDLYNIFXBRGITL-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
2-chloro-3-ethyl-5-fluoro-8-methylquinazolin-4-one
CID 114693088
3-(4-bromo-2,6-dimethylphenyl)-2-ethyl-7-fluoro-6-methylquinazolin-4-one;ethane
CID 162386122
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
2-(2-chloro-6-fluoro-4-oxoquinazolin-3-yl)acetonitrile
CID 131336834
1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
CID 162381509
2-chloro-3-ethyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641367
2-chloro-7-fluoro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264428
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
CID 114693017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one?
The IUPAC name of 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one (CID 114693381) is 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one.
What is the SMILES notation for 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one?
The canonical SMILES for 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one is CCn1c(Cl)nc2cc(F)c(C)cc2c1=O.
What is the InChIKey of 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one?
The InChIKey is KDLYNIFXBRGITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-3-15-10(16)7-4-6(2)8(13)5-9(7)14-11(15)12/h4-5H,3H2,1-2H3.
What are the key properties of 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one?
2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one has a molecular weight of 240.66 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-7-fluoro-6-methylquinazolin-4-one is sourced from PubChem (CID 114693381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).