4-(quinoxalin-2-ylamino)benzoic acid

C15H11N3O2 — CID 3547215

IUPAC4-(quinoxalin-2-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H11N3O2/c19-15(20)10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-9H,(H,17,18)(H,19,20)
InChIKeyGOVKQIYUNUCKKD-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.07
Rot. Bonds3

About 4-(quinoxalin-2-ylamino)benzoic acid

4-(quinoxalin-2-ylamino)benzoic acid (PubChem CID 3547215) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(quinoxalin-2-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(quinoxalin-2-ylamino)benzoic acid
PubChem CID3547215
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-(quinoxalin-2-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H11N3O2/c19-15(20)10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-9H,(H,17,18)(H,19,20)
InChIKeyGOVKQIYUNUCKKD-UHFFFAOYSA-N
XLogP3.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pteroic Acid
CID 135398749
Quinoxaline-6-carboxylic acid
CID 674813
4,4'-(Pyrimidine-2,4-diyldiimino)dibenzoic acid
CID 779302
Bisanilinopyrimidine, 4a
CID 70702132
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Deoxyaminopteroic Acid
CID 72441
2-({2-[(4-Carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 698343
4-{[4-(Phenylamino)pyrimidin-2-Yl]amino}benzoic Acid
CID 56587958
4-({4-[(2-Fluorophenyl)amino]pyrimidin-2-Yl}amino)benzoic Acid
CID 56587961
4-{[4-(Biphenyl-2-Ylamino)pyrimidin-2-Yl]amino}benzoic Acid
CID 56587962
4-[(4-{[2-(Trifluoromethyl)phenyl]amino}pyrimidin-2-Yl)amino]benzoic Acid
CID 56587963
4-({4-[(2-Cyanophenyl)amino]pyrimidin-2-Yl}amino)benzoic Acid
CID 56587965

Frequently Asked Questions

What is the IUPAC name of 4-(quinoxalin-2-ylamino)benzoic acid?
The IUPAC name of 4-(quinoxalin-2-ylamino)benzoic acid (CID 3547215) is 4-(quinoxalin-2-ylamino)benzoic acid.
What is the SMILES notation for 4-(quinoxalin-2-ylamino)benzoic acid?
The canonical SMILES for 4-(quinoxalin-2-ylamino)benzoic acid is O=C(O)c1ccc(Nc2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-(quinoxalin-2-ylamino)benzoic acid?
The InChIKey is GOVKQIYUNUCKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(20)10-5-7-11(8-6-10)17-14-9-16-12-3-1-2-4-13(12)18-14/h1-9H,(H,17,18)(H,19,20).
What are the key properties of 4-(quinoxalin-2-ylamino)benzoic acid?
4-(quinoxalin-2-ylamino)benzoic acid has a molecular weight of 265.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinoxalin-2-ylamino)benzoic acid is sourced from PubChem (CID 3547215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).