2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid

C16H12N4O4 — CID 135879729

IUPAC2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2cccnc2)cc2nccnc12
InChIInChI=1S/C16H12N4O4/c21-12(22)8-20-16(24)13-14-11(18-4-5-19-14)6-10(15(13)23)9-2-1-3-17-7-9/h1-7,23H,8H2,(H,20,24)(H,21,22)
InChIKeyITVGWFTXIHDZNQ-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.21
Rot. Bonds4

About 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid

2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid (PubChem CID 135879729) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid
PubChem CID135879729
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2cccnc2)cc2nccnc12
InChIInChI=1S/C16H12N4O4/c21-12(22)8-20-16(24)13-14-11(18-4-5-19-14)6-10(15(13)23)9-2-1-3-17-7-9/h1-7,23H,8H2,(H,20,24)(H,21,22)
InChIKeyITVGWFTXIHDZNQ-UHFFFAOYSA-N
XLogP1.21
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic 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-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid (CID 135879729) is 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(-c2cccnc2)cc2nccnc12.
What is the InChIKey of 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
The InChIKey is ITVGWFTXIHDZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c21-12(22)8-20-16(24)13-14-11(18-4-5-19-14)6-10(15(13)23)9-2-1-3-17-7-9/h1-7,23H,8H2,(H,20,24)(H,21,22).
What are the key properties of 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid has a molecular weight of 324.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-7-pyridin-3-ylquinoxaline-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 135879729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).