3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

C12H9F3N2O2 — CID 117261419

IUPAC3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1C1CC1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)6-1-4-9-8(5-6)10(18)17(7-2-3-7)11(19)16-9/h1,4-5,7H,2-3H2,(H,16,19)
InChIKeyLWFPCIBFXVPRBG-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.04
Rot. Bonds1

About 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117261419) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117261419
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1C1CC1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)6-1-4-9-8(5-6)10(18)17(7-2-3-7)11(19)16-9/h1,4-5,7H,2-3H2,(H,16,19)
InChIKeyLWFPCIBFXVPRBG-UHFFFAOYSA-N
XLogP2.04
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261468
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262896
3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261194
6-amino-3-(4-propan-2-ylcyclohexyl)-1H-quinazoline-2,4-dione
CID 158247867
3-(azetidin-3-yl)-6-methyl-1H-quinazoline-2,4-dione
CID 117262472
N-(3-cyclopentyl-2,4-dioxo-1H-quinazolin-6-yl)acetamide
CID 155533320
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
3-butyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 118886530
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117261419) is 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is LWFPCIBFXVPRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)6-1-4-9-8(5-6)10(18)17(7-2-3-7)11(19)16-9/h1,4-5,7H,2-3H2,(H,16,19).
What are the key properties of 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 270.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).