5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione

C10H4F6N2O2 — CID 166453206

IUPAC5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H4F6N2O2/c11-9(12,13)3-1-4(10(14,15)16)6-5(2-3)17-8(20)18-7(6)19/h1-2H,(H2,17,18,19,20)
InChIKeyXLAFORBYEQIPHN-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.25
Rot. Bonds

About 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione

5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 166453206) has the molecular formula C10H4F6N2O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID166453206
Molecular FormulaC10H4F6N2O2
Molecular Weight298.14 g/mol
Exact Mass298.02
IUPAC Name5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H4F6N2O2/c11-9(12,13)3-1-4(10(14,15)16)6-5(2-3)17-8(20)18-7(6)19/h1-2H,(H2,17,18,19,20)
InChIKeyXLAFORBYEQIPHN-UHFFFAOYSA-N
XLogP2.25
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid
CID 2736158
4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione
CID 19990430
5,7-difluoro-1H-quinazoline-2,4-dione
CID 19604393
diethyl 4,6-bis(trifluoromethyl)-1H-indole-2,3-dicarboxylate
CID 19030639
8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 156808240
1,3,6,8,10,11-hexakis(trifluoromethyl)triphenylene
CID 90327361
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
2-chloro-4,6-bis(trifluoromethyl)-1H-benzimidazole
CID 11529388
6-(2-methylpropanoyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 141153042
5,7-diphenyl-1H-quinazoline-2,4-dione
CID 53358877
7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 164904477

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 166453206) is 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is XLAFORBYEQIPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2O2/c11-9(12,13)3-1-4(10(14,15)16)6-5(2-3)17-8(20)18-7(6)19/h1-2H,(H2,17,18,19,20).
What are the key properties of 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione?
5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 298.14 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 166453206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).