6-methoxy-3-phenylquinoxaline-5-carboxylic acid

C16H12N2O3 — CID 68675114

IUPAC6-methoxy-3-phenylquinoxaline-5-carboxylic acid
SMILESCOc1ccc2ncc(-c3ccccc3)nc2c1C(=O)O
InChIInChI=1S/C16H12N2O3/c1-21-13-8-7-11-15(14(13)16(19)20)18-12(9-17-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)
InChIKeyAQSPEQVAHACBAJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.00
Rot. Bonds3

About 6-methoxy-3-phenylquinoxaline-5-carboxylic acid

6-methoxy-3-phenylquinoxaline-5-carboxylic acid (PubChem CID 68675114) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-methoxy-3-phenylquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-phenylquinoxaline-5-carboxylic acid
PubChem CID68675114
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-methoxy-3-phenylquinoxaline-5-carboxylic acid
SMILESCOc1ccc2ncc(-c3ccccc3)nc2c1C(=O)O
InChIInChI=1S/C16H12N2O3/c1-21-13-8-7-11-15(14(13)16(19)20)18-12(9-17-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20)
InChIKeyAQSPEQVAHACBAJ-UHFFFAOYSA-N
XLogP3.00
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenylquinoxaline-5-carboxylic acid?
The IUPAC name of 6-methoxy-3-phenylquinoxaline-5-carboxylic acid (CID 68675114) is 6-methoxy-3-phenylquinoxaline-5-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-phenylquinoxaline-5-carboxylic acid?
The canonical SMILES for 6-methoxy-3-phenylquinoxaline-5-carboxylic acid is COc1ccc2ncc(-c3ccccc3)nc2c1C(=O)O.
What is the InChIKey of 6-methoxy-3-phenylquinoxaline-5-carboxylic acid?
The InChIKey is AQSPEQVAHACBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-13-8-7-11-15(14(13)16(19)20)18-12(9-17-11)10-5-3-2-4-6-10/h2-9H,1H3,(H,19,20).
What are the key properties of 6-methoxy-3-phenylquinoxaline-5-carboxylic acid?
6-methoxy-3-phenylquinoxaline-5-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenylquinoxaline-5-carboxylic acid is sourced from PubChem (CID 68675114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).