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

C9H5F3N2O2 — CID 105487475

IUPAC6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccc(O)cc2c(C(F)(F)F)[nH]1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)7-5-3-4(15)1-2-6(5)13-8(16)14-7/h1-3,15H,(H,13,14,16)
InChIKeyXMONZHQZAFZRMN-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.65
Rot. Bonds

About 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one

6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one (PubChem CID 105487475) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.14 g/mol. Its IUPAC name is 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one
PubChem CID105487475
Molecular FormulaC9H5F3N2O2
Molecular Weight230.14 g/mol
Exact Mass230.03
IUPAC Name6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one
SMILESO=c1nc2ccc(O)cc2c(C(F)(F)F)[nH]1
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)7-5-3-4(15)1-2-6(5)13-8(16)14-7/h1-3,15H,(H,13,14,16)
InChIKeyXMONZHQZAFZRMN-UHFFFAOYSA-N
XLogP1.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-hydroxy-2-oxo-3H-quinazolin-4-yl)acetic acid
CID 105475154
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530
2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999629
3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol
CID 123398426
2-(6-hydroxy-4-oxo-3H-quinazolin-2-yl)acetonitrile
CID 137182260
2-iodo-3-(trifluoromethyl)quinoxalin-6-ol
CID 148988087
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
CID 136903850
7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one
CID 115063117
2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999605
6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146333407
6-(2-chloro-5-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
CID 136964681
2-(trifluoromethyl)-1,3-benzothiazol-5-ol
CID 84684346

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one?
The IUPAC name of 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one (CID 105487475) is 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one.
What is the SMILES notation for 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one?
The canonical SMILES for 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one is O=c1nc2ccc(O)cc2c(C(F)(F)F)[nH]1.
What is the InChIKey of 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one?
The InChIKey is XMONZHQZAFZRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)7-5-3-4(15)1-2-6(5)13-8(16)14-7/h1-3,15H,(H,13,14,16).
What are the key properties of 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one?
6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one has a molecular weight of 230.14 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one is sourced from PubChem (CID 105487475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).