3-(2-bromoanilino)quinoxaline-2-carboxylic acid

C15H10BrN3O2 — CID 134093869

IUPAC3-(2-bromoanilino)quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1Nc1ccccc1Br
InChIInChI=1S/C15H10BrN3O2/c16-9-5-1-2-6-10(9)18-14-13(15(20)21)17-11-7-3-4-8-12(11)19-14/h1-8H,(H,18,19)(H,20,21)
InChIKeyAONQVIHFHGPVKC-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.83
Rot. Bonds3

About 3-(2-bromoanilino)quinoxaline-2-carboxylic acid

3-(2-bromoanilino)quinoxaline-2-carboxylic acid (PubChem CID 134093869) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 3-(2-bromoanilino)quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-bromoanilino)quinoxaline-2-carboxylic acid
PubChem CID134093869
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name3-(2-bromoanilino)quinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2nc1Nc1ccccc1Br
InChIInChI=1S/C15H10BrN3O2/c16-9-5-1-2-6-10(9)18-14-13(15(20)21)17-11-7-3-4-8-12(11)19-14/h1-8H,(H,18,19)(H,20,21)
InChIKeyAONQVIHFHGPVKC-UHFFFAOYSA-N
XLogP3.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)quinoxaline-2-carboxylic acid?
The IUPAC name of 3-(2-bromoanilino)quinoxaline-2-carboxylic acid (CID 134093869) is 3-(2-bromoanilino)quinoxaline-2-carboxylic acid.
What is the SMILES notation for 3-(2-bromoanilino)quinoxaline-2-carboxylic acid?
The canonical SMILES for 3-(2-bromoanilino)quinoxaline-2-carboxylic acid is O=C(O)c1nc2ccccc2nc1Nc1ccccc1Br.
What is the InChIKey of 3-(2-bromoanilino)quinoxaline-2-carboxylic acid?
The InChIKey is AONQVIHFHGPVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-9-5-1-2-6-10(9)18-14-13(15(20)21)17-11-7-3-4-8-12(11)19-14/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 3-(2-bromoanilino)quinoxaline-2-carboxylic acid?
3-(2-bromoanilino)quinoxaline-2-carboxylic acid has a molecular weight of 344.17 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)quinoxaline-2-carboxylic acid is sourced from PubChem (CID 134093869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).