2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid

C18H16N4O4 — CID 135973159

IUPAC2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid
SMILESCNc1ccc(-c2cnc3c(C(=O)NCC(=O)O)c(O)ccc3n2)cc1
InChIInChI=1S/C18H16N4O4/c1-19-11-4-2-10(3-5-11)13-8-20-17-12(22-13)6-7-14(23)16(17)18(26)21-9-15(24)25/h2-8,19,23H,9H2,1H3,(H,21,26)(H,24,25)
InChIKeyIOZCZJJAFUPVBE-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.86
Rot. Bonds5

About 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid

2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid (PubChem CID 135973159) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid
PubChem CID135973159
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid
SMILESCNc1ccc(-c2cnc3c(C(=O)NCC(=O)O)c(O)ccc3n2)cc1
InChIInChI=1S/C18H16N4O4/c1-19-11-4-2-10(3-5-11)13-8-20-17-12(22-13)6-7-14(23)16(17)18(26)21-9-15(24)25/h2-8,19,23H,9H2,1H3,(H,21,26)(H,24,25)
InChIKeyIOZCZJJAFUPVBE-UHFFFAOYSA-N
XLogP1.86
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid (CID 135973159) is 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid is CNc1ccc(-c2cnc3c(C(=O)NCC(=O)O)c(O)ccc3n2)cc1.
What is the InChIKey of 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid?
The InChIKey is IOZCZJJAFUPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-19-11-4-2-10(3-5-11)13-8-20-17-12(22-13)6-7-14(23)16(17)18(26)21-9-15(24)25/h2-8,19,23H,9H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid?
2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-hydroxy-2-[4-(methylamino)phenyl]quinoxaline-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 135973159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).