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

C21H12Cl2N2O2 — CID 2195375

IUPAC2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C21H12Cl2N2O2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19/h1-11H,(H,26,27)
InChIKeyHWARRBNHGPIIKB-UHFFFAOYSA-N
MW395.25 g/mol
LogP5.97
Rot. Bonds3

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

2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid (PubChem CID 2195375) has the molecular formula C21H12Cl2N2O2 and a molecular weight of 395.25 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid
PubChem CID2195375
Molecular FormulaC21H12Cl2N2O2
Molecular Weight395.25 g/mol
Exact Mass394.03
IUPAC Name2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C21H12Cl2N2O2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19/h1-11H,(H,26,27)
InChIKeyHWARRBNHGPIIKB-UHFFFAOYSA-N
XLogP5.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.25
LogP ≤ 55.97
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-chlorophenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid (CID 2195375) is 2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid?
The InChIKey is HWARRBNHGPIIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N2O2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19/h1-11H,(H,26,27).
What are the key properties of 2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid?
2,3-bis(4-chlorophenyl)quinoxaline-6-carboxylic acid has a molecular weight of 395.25 g/mol, XLogP of 5.97, 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-chlorophenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 2195375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).