2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide

C20H16FN5O2 — CID 16669132

IUPAC2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H16FN5O2/c21-13-7-9-14(10-8-13)22-17(27)11-25-20(28)26-18(12-5-6-12)23-16-4-2-1-3-15(16)19(26)24-25/h1-4,7-10,12H,5-6,11H2,(H,22,27)
InChIKeyAITXCOVKXQHQTK-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.70
Rot. Bonds4

About 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide

2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 16669132) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide
PubChem CID16669132
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H16FN5O2/c21-13-7-9-14(10-8-13)22-17(27)11-25-20(28)26-18(12-5-6-12)23-16-4-2-1-3-15(16)19(26)24-25/h1-4,7-10,12H,5-6,11H2,(H,22,27)
InChIKeyAITXCOVKXQHQTK-UHFFFAOYSA-N
XLogP2.70
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide (CID 16669132) is 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide is O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is AITXCOVKXQHQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-13-7-9-14(10-8-13)22-17(27)11-25-20(28)26-18(12-5-6-12)23-16-4-2-1-3-15(16)19(26)24-25/h1-4,7-10,12H,5-6,11H2,(H,22,27).
What are the key properties of 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide?
2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 377.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16669132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).