2-(trifluoromethyl)-3H-quinazolin-4-one

C9H5F3N2O — CID 135415531

IUPAC2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H,(H,13,14,15)
InChIKeyLOKVXDVFZJAQMR-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.94
Rot. Bonds

About 2-(trifluoromethyl)-3H-quinazolin-4-one

2-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 135415531) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID135415531
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H,(H,13,14,15)
InChIKeyLOKVXDVFZJAQMR-UHFFFAOYSA-N
XLogP1.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methaqualone
CID 6292
4(1H)-Quinazolinone
CID 135408753
Afloqualone
CID 2040
2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
Deoxyvasicinone
CID 68261
Ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate
CID 135437466
3-Methyl-4(3H)-quinazolinone
CID 17088
5-Fluoroquinazolin-4-ol
CID 135495930

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(trifluoromethyl)-3H-quinazolin-4-one (CID 135415531) is 2-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-3H-quinazolin-4-one is O=c1[nH]c(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is LOKVXDVFZJAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H,(H,13,14,15).
What are the key properties of 2-(trifluoromethyl)-3H-quinazolin-4-one?
2-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 214.15 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135415531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).