4-(3-phenylquinoxalin-2-yl)benzoic acid

C21H14N2O2 — CID 4737061

IUPAC4-(3-phenylquinoxalin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O2/c24-21(25)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)22-17-8-4-5-9-18(17)23-20/h1-13H,(H,24,25)
InChIKeySABUZWNUWGQQOF-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.66
Rot. Bonds3

About 4-(3-phenylquinoxalin-2-yl)benzoic acid

4-(3-phenylquinoxalin-2-yl)benzoic acid (PubChem CID 4737061) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-(3-phenylquinoxalin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-phenylquinoxalin-2-yl)benzoic acid
PubChem CID4737061
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name4-(3-phenylquinoxalin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O2/c24-21(25)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)22-17-8-4-5-9-18(17)23-20/h1-13H,(H,24,25)
InChIKeySABUZWNUWGQQOF-UHFFFAOYSA-N
XLogP4.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylquinoxalin-2-yl)benzoic acid?
The IUPAC name of 4-(3-phenylquinoxalin-2-yl)benzoic acid (CID 4737061) is 4-(3-phenylquinoxalin-2-yl)benzoic acid.
What is the SMILES notation for 4-(3-phenylquinoxalin-2-yl)benzoic acid?
The canonical SMILES for 4-(3-phenylquinoxalin-2-yl)benzoic acid is O=C(O)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(3-phenylquinoxalin-2-yl)benzoic acid?
The InChIKey is SABUZWNUWGQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-21(25)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)22-17-8-4-5-9-18(17)23-20/h1-13H,(H,24,25).
What are the key properties of 4-(3-phenylquinoxalin-2-yl)benzoic acid?
4-(3-phenylquinoxalin-2-yl)benzoic acid has a molecular weight of 326.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylquinoxalin-2-yl)benzoic acid is sourced from PubChem (CID 4737061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).