8-(trifluoromethoxy)-1H-quinazoline-2,4-dione

C9H5F3N2O3 — CID 19604318

IUPAC8-(trifluoromethoxy)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cccc(OC(F)(F)F)c2[nH]1
InChIInChI=1S/C9H5F3N2O3/c10-9(11,12)17-5-3-1-2-4-6(5)13-8(16)14-7(4)15/h1-3H,(H2,13,14,15,16)
InChIKeyFVQOONKLIQLJCV-UHFFFAOYSA-N
MW246.14 g/mol
LogP1.12
Rot. Bonds1

About 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione

8-(trifluoromethoxy)-1H-quinazoline-2,4-dione (PubChem CID 19604318) has the molecular formula C9H5F3N2O3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-(trifluoromethoxy)-1H-quinazoline-2,4-dione
PubChem CID19604318
Molecular FormulaC9H5F3N2O3
Molecular Weight246.14 g/mol
Exact Mass246.03
IUPAC Name8-(trifluoromethoxy)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cccc(OC(F)(F)F)c2[nH]1
InChIInChI=1S/C9H5F3N2O3/c10-9(11,12)17-5-3-1-2-4-6(5)13-8(16)14-7(4)15/h1-3H,(H2,13,14,15,16)
InChIKeyFVQOONKLIQLJCV-UHFFFAOYSA-N
XLogP1.12
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethoxy-1H-quinazoline-2,4-dione
CID 19604239
8-fluoro-1H-quinazoline-2,4-dione
CID 10080993
4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351701
N-[4-oxo-8-(trifluoromethoxy)-1H-quinolin-3-yl]methanesulfonamide
CID 167944942
3-bromo-7-(trifluoromethoxy)-2H-indazole
CID 133060231
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
1,7-dihydropyrido[3,4-d]pyrimidine-2,4,8-trione
CID 82409795
3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130092905
2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
CID 169257027
5-amino-6-[2-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 16768729
(E)-3-(2,4-dioxo-1H-quinazolin-8-yl)prop-2-enoic acid
CID 22457661

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione?
The IUPAC name of 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione (CID 19604318) is 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cccc(OC(F)(F)F)c2[nH]1.
What is the InChIKey of 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione?
The InChIKey is FVQOONKLIQLJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O3/c10-9(11,12)17-5-3-1-2-4-6(5)13-8(16)14-7(4)15/h1-3H,(H2,13,14,15,16).
What are the key properties of 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione?
8-(trifluoromethoxy)-1H-quinazoline-2,4-dione has a molecular weight of 246.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19604318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).