3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

C15H10F3N2O2- — CID 4744964

IUPAC3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2C(F)(F)F)N1[O-]
InChIInChI=1S/C15H10F3N2O2/c16-15(17,18)11-7-3-1-5-9(11)13-19-12-8-4-2-6-10(12)14(21)20(13)22/h1-8,13,19H/q-1
InChIKeyTUFKWKNTOOMSTP-UHFFFAOYSA-N
MW307.25 g/mol
LogP3.77
Rot. Bonds1

About 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 4744964) has the molecular formula C15H10F3N2O2- and a molecular weight of 307.25 g/mol. Its IUPAC name is 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID4744964
Molecular FormulaC15H10F3N2O2-
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Name3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2C(F)(F)F)N1[O-]
InChIInChI=1S/C15H10F3N2O2/c16-15(17,18)11-7-3-1-5-9(11)13-19-12-8-4-2-6-10(12)14(21)20(13)22/h1-8,13,19H/q-1
InChIKeyTUFKWKNTOOMSTP-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439
3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 4744803
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673
2-(2-fluorophenyl)-3-prop-2-ynyl-1,2-dihydroquinazolin-4-one
CID 155928172
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
(3S)-2-benzyl-3-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 988394
(6R,11bR)-3-methylsulfanyl-6-[2-(trifluoromethyl)phenyl]-2,6,7,11b-tetrahydro-[1,2,4]triazino[1,6-c]quinazolin-1-one
CID 137238189
3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 105486245
2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 60587937
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one
CID 4744926
N-methyl-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinolin-4-amine
CID 142126108

Frequently Asked Questions

What is the IUPAC name of 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (CID 4744964) is 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2C(F)(F)F)N1[O-].
What is the InChIKey of 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is TUFKWKNTOOMSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N2O2/c16-15(17,18)11-7-3-1-5-9(11)13-19-12-8-4-2-6-10(12)14(21)20(13)22/h1-8,13,19H/q-1.
What are the key properties of 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 307.25 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4744964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).