2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid

C23H18N2O2 — CID 1381187

IUPAC2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H18N2O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)25-20-13-18(23(26)27)11-12-19(20)24-21/h3-13H,1-2H3,(H,26,27)
InChIKeyBPQHAKKJCUVPDN-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.28
Rot. Bonds3

About 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid

2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid (PubChem CID 1381187) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid
PubChem CID1381187
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H18N2O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)25-20-13-18(23(26)27)11-12-19(20)24-21/h3-13H,1-2H3,(H,26,27)
InChIKeyBPQHAKKJCUVPDN-UHFFFAOYSA-N
XLogP5.28
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid (CID 1381187) is 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid is Cc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid?
The InChIKey is BPQHAKKJCUVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)25-20-13-18(23(26)27)11-12-19(20)24-21/h3-13H,1-2H3,(H,26,27).
What are the key properties of 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid?
2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 1381187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).