4-quinoxalin-2-ylbenzoic acid

C15H10N2O2 — CID 685778

IUPAC4-quinoxalin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H10N2O2/c18-15(19)11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,(H,18,19)
InChIKeyDHDIEDXUEGYLFL-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.99
Rot. Bonds2

About 4-quinoxalin-2-ylbenzoic acid

4-quinoxalin-2-ylbenzoic acid (PubChem CID 685778) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-quinoxalin-2-ylbenzoic acid.

Molecular Properties

Compound Name4-quinoxalin-2-ylbenzoic acid
PubChem CID685778
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name4-quinoxalin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H10N2O2/c18-15(19)11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,(H,18,19)
InChIKeyDHDIEDXUEGYLFL-UHFFFAOYSA-N
XLogP2.99
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-quinoxalin-2-ylbenzoic acid?
The IUPAC name of 4-quinoxalin-2-ylbenzoic acid (CID 685778) is 4-quinoxalin-2-ylbenzoic acid.
What is the SMILES notation for 4-quinoxalin-2-ylbenzoic acid?
The canonical SMILES for 4-quinoxalin-2-ylbenzoic acid is O=C(O)c1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-quinoxalin-2-ylbenzoic acid?
The InChIKey is DHDIEDXUEGYLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15(19)11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,(H,18,19).
What are the key properties of 4-quinoxalin-2-ylbenzoic acid?
4-quinoxalin-2-ylbenzoic acid has a molecular weight of 250.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinoxalin-2-ylbenzoic acid is sourced from PubChem (CID 685778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).