2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid

C13H11N3O2 — CID 54098949

IUPAC2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid
SMILESO=C(O)CN1CC=Cc2c1ccc1nccnc21
InChIInChI=1S/C13H11N3O2/c17-12(18)8-16-7-1-2-9-11(16)4-3-10-13(9)15-6-5-14-10/h1-6H,7-8H2,(H,17,18)
InChIKeyMZEGSFYXUQGNJZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds2

About 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid

2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid (PubChem CID 54098949) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid
PubChem CID54098949
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid
SMILESO=C(O)CN1CC=Cc2c1ccc1nccnc21
InChIInChI=1S/C13H11N3O2/c17-12(18)8-16-7-1-2-9-11(16)4-3-10-13(9)15-6-5-14-10/h1-6H,7-8H2,(H,17,18)
InChIKeyMZEGSFYXUQGNJZ-UHFFFAOYSA-N
XLogP1.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid?
The IUPAC name of 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid (CID 54098949) is 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid.
What is the SMILES notation for 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid?
The canonical SMILES for 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid is O=C(O)CN1CC=Cc2c1ccc1nccnc21.
What is the InChIKey of 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid?
The InChIKey is MZEGSFYXUQGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12(18)8-16-7-1-2-9-11(16)4-3-10-13(9)15-6-5-14-10/h1-6H,7-8H2,(H,17,18).
What are the key properties of 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid?
2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid has a molecular weight of 241.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8H-pyrido[3,2-f]quinoxalin-7-yl)acetic acid is sourced from PubChem (CID 54098949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).