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

C33H22N2O4 — CID 5333823

IUPAC2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccc(Oc4ccccc4)cc3)nc2c1
InChIInChI=1S/C33H22N2O4/c36-33(37)24-15-20-29-30(21-24)35-32(23-13-18-28(19-14-23)39-26-9-5-2-6-10-26)31(34-29)22-11-16-27(17-12-22)38-25-7-3-1-4-8-25/h1-21H,(H,36,37)
InChIKeyDFLKROCSINXUJG-UHFFFAOYSA-N
MW510.55 g/mol
LogP8.25
Rot. Bonds7

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

2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid (PubChem CID 5333823) has the molecular formula C33H22N2O4 and a molecular weight of 510.55 g/mol. Its IUPAC name is 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid
PubChem CID5333823
Molecular FormulaC33H22N2O4
Molecular Weight510.55 g/mol
Exact Mass510.16
IUPAC Name2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccc(Oc4ccccc4)cc3)nc2c1
InChIInChI=1S/C33H22N2O4/c36-33(37)24-15-20-29-30(21-24)35-32(23-13-18-28(19-14-23)39-26-9-5-2-6-10-26)31(34-29)22-11-16-27(17-12-22)38-25-7-3-1-4-8-25/h1-21H,(H,36,37)
InChIKeyDFLKROCSINXUJG-UHFFFAOYSA-N
XLogP8.25
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid (CID 5333823) is 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccc(Oc4ccccc4)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid?
The InChIKey is DFLKROCSINXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O4/c36-33(37)24-15-20-29-30(21-24)35-32(23-13-18-28(19-14-23)39-26-9-5-2-6-10-26)31(34-29)22-11-16-27(17-12-22)38-25-7-3-1-4-8-25/h1-21H,(H,36,37).
What are the key properties of 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid?
2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid has a molecular weight of 510.55 g/mol, XLogP of 8.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-phenoxyphenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 5333823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).