4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid

C17H14N2O3 — CID 4601596

IUPAC4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
SMILESCc1nc2ccccc2nc1COc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H14N2O3/c1-11-16(19-15-5-3-2-4-14(15)18-11)10-22-13-8-6-12(7-9-13)17(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLYLHRFIZEJPXLR-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.22
Rot. Bonds4

About 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid

4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid (PubChem CID 4601596) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
PubChem CID4601596
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
SMILESCc1nc2ccccc2nc1COc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H14N2O3/c1-11-16(19-15-5-3-2-4-14(15)18-11)10-22-13-8-6-12(7-9-13)17(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLYLHRFIZEJPXLR-UHFFFAOYSA-N
XLogP3.22
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid (CID 4601596) is 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid is Cc1nc2ccccc2nc1COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid?
The InChIKey is LYLHRFIZEJPXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-16(19-15-5-3-2-4-14(15)18-11)10-22-13-8-6-12(7-9-13)17(20)21/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid?
4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 4601596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).