6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C16H13FN4O — CID 16652597

IUPAC6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1nc2nc3c(cn2n1)C(=O)CC(c1ccc(F)cc1)C3
InChIInChI=1S/C16H13FN4O/c1-9-18-16-19-14-6-11(10-2-4-12(17)5-3-10)7-15(22)13(14)8-21(16)20-9/h2-5,8,11H,6-7H2,1H3
InChIKeyYQGRLKIOENUARS-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.48
Rot. Bonds1

About 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 16652597) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID16652597
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1nc2nc3c(cn2n1)C(=O)CC(c1ccc(F)cc1)C3
InChIInChI=1S/C16H13FN4O/c1-9-18-16-19-14-6-11(10-2-4-12(17)5-3-10)7-15(22)13(14)8-21(16)20-9/h2-5,8,11H,6-7H2,1H3
InChIKeyYQGRLKIOENUARS-UHFFFAOYSA-N
XLogP2.48
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 16652597) is 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is Cc1nc2nc3c(cn2n1)C(=O)CC(c1ccc(F)cc1)C3.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is YQGRLKIOENUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-9-18-16-19-14-6-11(10-2-4-12(17)5-3-10)7-15(22)13(14)8-21(16)20-9/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 296.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 16652597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).