6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one

C15H10F3N3O — CID 163260233

IUPAC6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one
SMILESCc1ccc2ncn(-c3cccc(C(F)(F)F)n3)c(=O)c2c1
InChIInChI=1S/C15H10F3N3O/c1-9-5-6-11-10(7-9)14(22)21(8-19-11)13-4-2-3-12(20-13)15(16,17)18/h2-8H,1H3
InChIKeyAVIDJADJNLXGCZ-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.11
Rot. Bonds1

About 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one

6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one (PubChem CID 163260233) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one
PubChem CID163260233
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one
SMILESCc1ccc2ncn(-c3cccc(C(F)(F)F)n3)c(=O)c2c1
InChIInChI=1S/C15H10F3N3O/c1-9-5-6-11-10(7-9)14(22)21(8-19-11)13-4-2-3-12(20-13)15(16,17)18/h2-8H,1H3
InChIKeyAVIDJADJNLXGCZ-UHFFFAOYSA-N
XLogP3.11
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one?
The IUPAC name of 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one (CID 163260233) is 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one.
What is the SMILES notation for 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one?
The canonical SMILES for 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one is Cc1ccc2ncn(-c3cccc(C(F)(F)F)n3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one?
The InChIKey is AVIDJADJNLXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-9-5-6-11-10(7-9)14(22)21(8-19-11)13-4-2-3-12(20-13)15(16,17)18/h2-8H,1H3.
What are the key properties of 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one?
6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one has a molecular weight of 305.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 163260233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).