2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid

C21H12F2N2O2 — CID 5127746

IUPAC2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C21H12F2N2O2/c22-15-5-1-3-12(9-15)19-20(13-4-2-6-16(23)10-13)25-18-11-14(21(26)27)7-8-17(18)24-19/h1-11H,(H,26,27)
InChIKeyYLXOKMPPDOHQPB-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.94
Rot. Bonds3

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

2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid (PubChem CID 5127746) has the molecular formula C21H12F2N2O2 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
PubChem CID5127746
Molecular FormulaC21H12F2N2O2
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C21H12F2N2O2/c22-15-5-1-3-12(9-15)19-20(13-4-2-6-16(23)10-13)25-18-11-14(21(26)27)7-8-17(18)24-19/h1-11H,(H,26,27)
InChIKeyYLXOKMPPDOHQPB-UHFFFAOYSA-N
XLogP4.94
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate
CID 4171467
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(3-fluorophenyl)-1H-indole-6-carboxylic acid
CID 59625885
2,3-bis[4-[(E)-2-carboxyethenyl]phenyl]quinoxaline-6-carboxylic acid
CID 10073215
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid (CID 5127746) is 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid?
The InChIKey is YLXOKMPPDOHQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F2N2O2/c22-15-5-1-3-12(9-15)19-20(13-4-2-6-16(23)10-13)25-18-11-14(21(26)27)7-8-17(18)24-19/h1-11H,(H,26,27).
What are the key properties of 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid?
2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid has a molecular weight of 362.34 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 5127746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).