(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate

C19H15FN4O3 — CID 25410244

IUPAC(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate
SMILESCn1c(=O)c2ccccc2n2c(COC(=O)Cc3cccc(F)c3)nnc12
InChIInChI=1S/C19H15FN4O3/c1-23-18(26)14-7-2-3-8-15(14)24-16(21-22-19(23)24)11-27-17(25)10-12-5-4-6-13(20)9-12/h2-9H,10-11H2,1H3
InChIKeyQSPKJPZSNBWMHN-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.01
Rot. Bonds4

About (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate

(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate (PubChem CID 25410244) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate
PubChem CID25410244
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate
SMILESCn1c(=O)c2ccccc2n2c(COC(=O)Cc3cccc(F)c3)nnc12
InChIInChI=1S/C19H15FN4O3/c1-23-18(26)14-7-2-3-8-15(14)24-16(21-22-19(23)24)11-27-17(25)10-12-5-4-6-13(20)9-12/h2-9H,10-11H2,1H3
InChIKeyQSPKJPZSNBWMHN-UHFFFAOYSA-N
XLogP2.01
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate?
The IUPAC name of (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate (CID 25410244) is (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate.
What is the SMILES notation for (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate?
The canonical SMILES for (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate is Cn1c(=O)c2ccccc2n2c(COC(=O)Cc3cccc(F)c3)nnc12.
What is the InChIKey of (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate?
The InChIKey is QSPKJPZSNBWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-23-18(26)14-7-2-3-8-15(14)24-16(21-22-19(23)24)11-27-17(25)10-12-5-4-6-13(20)9-12/h2-9H,10-11H2,1H3.
What are the key properties of (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate?
(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate has a molecular weight of 366.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 25410244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).