3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

C13H11F3N2O3 — CID 117261468

IUPAC3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1C1CCOC1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)7-1-2-9-10(5-7)17-12(20)18(11(9)19)8-3-4-21-6-8/h1-2,5,8H,3-4,6H2,(H,17,20)
InChIKeyHJOPTJFRMSTPFC-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.67
Rot. Bonds1

About 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117261468) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117261468
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1C1CCOC1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)7-1-2-9-10(5-7)17-12(20)18(11(9)19)8-3-4-21-6-8/h1-2,5,8H,3-4,6H2,(H,17,20)
InChIKeyHJOPTJFRMSTPFC-UHFFFAOYSA-N
XLogP1.67
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262896
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
3-(oxolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261757
3-(2,3-dihydro-1H-inden-2-yl)-2-sulfanylidene-7-(trifluoromethyl)-1H-quinazolin-4-one
CID 90359324
3-(oxolan-3-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 80712974
3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-(pyrrolidin-3-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262875
8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118502860
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117261468) is 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1C1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is HJOPTJFRMSTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)7-1-2-9-10(5-7)17-12(20)18(11(9)19)8-3-4-21-6-8/h1-2,5,8H,3-4,6H2,(H,17,20).
What are the key properties of 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 300.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).