2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one

C14H8F3N3O2 — CID 171922167

IUPAC2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)22-9-1-2-11-10(7-9)13(21)20-12(19-11)8-3-5-18-6-4-8/h1-7H,(H,19,20,21)
InChIKeyZKGYTGPXYAOSCG-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.88
Rot. Bonds2

About 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one

2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one (PubChem CID 171922167) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one
PubChem CID171922167
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)22-9-1-2-11-10(7-9)13(21)20-12(19-11)8-3-5-18-6-4-8/h1-7H,(H,19,20,21)
InChIKeyZKGYTGPXYAOSCG-UHFFFAOYSA-N
XLogP2.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
The IUPAC name of 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one (CID 171922167) is 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccncc2)nc2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
The InChIKey is ZKGYTGPXYAOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)22-9-1-2-11-10(7-9)13(21)20-12(19-11)8-3-5-18-6-4-8/h1-7H,(H,19,20,21).
What are the key properties of 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one?
2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one has a molecular weight of 307.23 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-6-(trifluoromethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 171922167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).