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

C9H5F3N2O — CID 135742245

IUPAC7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4H,(H,13,14,15)
InChIKeyPPQZFZZPLINSJL-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.94
Rot. Bonds

About 7-(trifluoromethyl)-3H-quinazolin-4-one

7-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 135742245) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID135742245
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4H,(H,13,14,15)
InChIKeyPPQZFZZPLINSJL-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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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(trifluoromethyl)-3H-quinazolin-4-one (CID 135742245) is 7-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(trifluoromethyl)-3H-quinazolin-4-one is O=c1[nH]cnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 7-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is PPQZFZZPLINSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4H,(H,13,14,15).
What are the key properties of 7-(trifluoromethyl)-3H-quinazolin-4-one?
7-(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 7-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135742245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).