ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one

C13H15F3N2O2 — CID 144970353

IUPACethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
SMILESCC.CCc1nc2ccc(OC(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C11H9F3N2O2.C2H6/c1-2-9-15-8-4-3-6(18-11(12,13)14)5-7(8)10(17)16-9;1-2/h3-5H,2H2,1H3,(H,15,16,17);1-2H3
InChIKeyLVBPQTIEZOTJBM-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.41
Rot. Bonds2

About ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one

ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one (PubChem CID 144970353) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Nameethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
PubChem CID144970353
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Nameethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
SMILESCC.CCc1nc2ccc(OC(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C11H9F3N2O2.C2H6/c1-2-9-15-8-4-3-6(18-11(12,13)14)5-7(8)10(17)16-9;1-2/h3-5H,2H2,1H3,(H,15,16,17);1-2H3
InChIKeyLVBPQTIEZOTJBM-UHFFFAOYSA-N
XLogP3.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethylpropyl)-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 137232996
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
CID 143751543
ethane;2-ethyl-4-oxo-3H-quinazoline-6-carbonitrile
CID 144970383
2-(diethylamino)-7-(trifluoromethoxy)-3H-quinazolin-4-one
CID 139222854
2-(chloromethyl)-6-propan-2-yloxy-3H-quinazolin-4-one
CID 156870356
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one
CID 135999407
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(chloromethyl)-6-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 156870415
(6-methoxy-4-oxo-3H-quinazolin-2-yl)methyl acetate
CID 156870481
2-(chloromethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 156870440
6-fluoro-2-(3-methoxypropyl)-3H-quinazolin-4-one
CID 154775058

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
The IUPAC name of ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one (CID 144970353) is ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
The canonical SMILES for ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one is CC.CCc1nc2ccc(OC(F)(F)F)cc2c(=O)[nH]1.
What is the InChIKey of ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
The InChIKey is LVBPQTIEZOTJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2.C2H6/c1-2-9-15-8-4-3-6(18-11(12,13)14)5-7(8)10(17)16-9;1-2/h3-5H,2H2,1H3,(H,15,16,17);1-2H3.
What are the key properties of ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one has a molecular weight of 288.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 144970353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).