N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

C19H14FN5O4 — CID 53020137

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 53020137) has the molecular formula C19H14FN5O4 and a molecular weight of 395.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
• PubChem CID: 53020137
• Molecular Formula: C19H14FN5O4
• Molecular Weight: 395.35 g/mol
• Exact Mass: 395.10
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
• SMILES: O=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C19H14FN5O4/c20-11-1-3-14-13(7-11)18-23-25(19(27)24(18)10-21-14)9-17(26)22-12-2-4-15-16(8-12)29-6-5-28-15/h1-4,7-8,10H,5-6,9H2,(H,22,26)
• InChIKey: GDPZDNLYMSPSLB-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.35
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 53020137) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is O=C(Cn1nc2c3cc(F)ccc3ncn2c1=O)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

The InChIKey is GDPZDNLYMSPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O4/c20-11-1-3-14-13(7-11)18-23-25(19(27)24(18)10-21-14)9-17(26)22-12-2-4-15-16(8-12)29-6-5-28-15/h1-4,7-8,10H,5-6,9H2,(H,22,26).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 395.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 53020137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).