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

C14H8F3N3O2 — CID 117261306

IUPAC3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1-c1cccnc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-3-4-11-10(6-8)12(21)20(13(22)19-11)9-2-1-5-18-7-9/h1-7H,(H,19,22)
InChIKeyJOBSTEHVFKQOKG-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.09
Rot. Bonds1

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

3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117261306) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117261306
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1-c1cccnc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)8-3-4-11-10(6-8)12(21)20(13(22)19-11)9-2-1-5-18-7-9/h1-7H,(H,19,22)
InChIKeyJOBSTEHVFKQOKG-UHFFFAOYSA-N
XLogP2.09
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-3-pyridin-3-yl-1H-quinazoline-2,4-dione
CID 117261312
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole
CID 53244604
6-(1,1-difluoroethyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 166085752
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 13282380
3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261194
3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207571
ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 144861937
3-amino-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
CID 167134497
3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208195
3-butyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 118886530

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117261306) is 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1-c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is JOBSTEHVFKQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)8-3-4-11-10(6-8)12(21)20(13(22)19-11)9-2-1-5-18-7-9/h1-7H,(H,19,22).
What are the key properties of 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 307.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).