3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione

C15H15F3N2O2 — CID 117262016

IUPAC3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)11-8-4-7-10-12(11)19-14(22)20(13(10)21)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)
InChIKeyTUABJYFCSTVGLE-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.21
Rot. Bonds1

About 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117262016) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117262016
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)11-8-4-7-10-12(11)19-14(22)20(13(10)21)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22)
InChIKeyTUABJYFCSTVGLE-UHFFFAOYSA-N
XLogP3.21
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261757
3-(thiolan-3-yl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261758
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
2,4-dioxo-8-(trifluoromethyl)-1H-quinazoline-3-carboxylic acid
CID 117263379
3-(thiolan-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206333
3-(1-ethylpiperidin-2-yl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206387
8-chloro-3-piperidin-4-yl-1H-quinazoline-2,4-dione
CID 117261812
3-(methylaminomethyl)-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117263244
6-cyclododecylbenzo[d][2]benzazepine-5,7-dione
CID 4990028
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
3-(thiolan-2-ylmethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206434

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117262016) is 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is TUABJYFCSTVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c16-15(17,18)11-8-4-7-10-12(11)19-14(22)20(13(10)21)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,19,22).
What are the key properties of 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 312.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).