2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid

C20H16N4O4 — CID 11501698

IUPAC2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid
SMILESO=C(CCc1nnn2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)O
InChIInChI=1S/C20H16N4O4/c25-13-6-9-17-12(11-13)5-8-18-16(22-23-24(17)18)7-10-19(26)21-15-4-2-1-3-14(15)20(27)28/h1-6,8-9,11,25H,7,10H2,(H,21,26)(H,27,28)
InChIKeyJJZOZPDFWAEIFM-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.86
Rot. Bonds5

About 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid

2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid (PubChem CID 11501698) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid
PubChem CID11501698
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid
SMILESO=C(CCc1nnn2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)O
InChIInChI=1S/C20H16N4O4/c25-13-6-9-17-12(11-13)5-8-18-16(22-23-24(17)18)7-10-19(26)21-15-4-2-1-3-14(15)20(27)28/h1-6,8-9,11,25H,7,10H2,(H,21,26)(H,27,28)
InChIKeyJJZOZPDFWAEIFM-UHFFFAOYSA-N
XLogP2.86
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid (CID 11501698) is 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid is O=C(CCc1nnn2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
The InChIKey is JJZOZPDFWAEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-13-6-9-17-12(11-13)5-8-18-16(22-23-24(17)18)7-10-19(26)21-15-4-2-1-3-14(15)20(27)28/h1-6,8-9,11,25H,7,10H2,(H,21,26)(H,27,28).
What are the key properties of 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid has a molecular weight of 376.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-hydroxytriazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid is sourced from PubChem (CID 11501698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).