3-methyl-4-quinoxalin-2-yloxybenzoic acid

C16H12N2O3 — CID 107672759

IUPAC3-methyl-4-quinoxalin-2-yloxybenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1cnc2ccccc2n1
InChIInChI=1S/C16H12N2O3/c1-10-8-11(16(19)20)6-7-14(10)21-15-9-17-12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,19,20)
InChIKeyXVFFHSZKZKCHAN-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.43
Rot. Bonds3

About 3-methyl-4-quinoxalin-2-yloxybenzoic acid

3-methyl-4-quinoxalin-2-yloxybenzoic acid (PubChem CID 107672759) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-methyl-4-quinoxalin-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-methyl-4-quinoxalin-2-yloxybenzoic acid
PubChem CID107672759
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-methyl-4-quinoxalin-2-yloxybenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1cnc2ccccc2n1
InChIInChI=1S/C16H12N2O3/c1-10-8-11(16(19)20)6-7-14(10)21-15-9-17-12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,19,20)
InChIKeyXVFFHSZKZKCHAN-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
4-cinnolin-4-yloxy-3-methylbenzoic acid
CID 107672871
3-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672852
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
2-(2-quinoxalin-2-yloxyphenyl)acetic acid
CID 80735910
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
4-bromo-2-quinoxalin-2-yloxybenzoic acid
CID 62360418
3-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 107672854
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-quinoxalin-2-yloxyphenol
CID 13328504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-quinoxalin-2-yloxybenzoic acid?
The IUPAC name of 3-methyl-4-quinoxalin-2-yloxybenzoic acid (CID 107672759) is 3-methyl-4-quinoxalin-2-yloxybenzoic acid.
What is the SMILES notation for 3-methyl-4-quinoxalin-2-yloxybenzoic acid?
The canonical SMILES for 3-methyl-4-quinoxalin-2-yloxybenzoic acid is Cc1cc(C(=O)O)ccc1Oc1cnc2ccccc2n1.
What is the InChIKey of 3-methyl-4-quinoxalin-2-yloxybenzoic acid?
The InChIKey is XVFFHSZKZKCHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-8-11(16(19)20)6-7-14(10)21-15-9-17-12-4-2-3-5-13(12)18-15/h2-9H,1H3,(H,19,20).
What are the key properties of 3-methyl-4-quinoxalin-2-yloxybenzoic acid?
3-methyl-4-quinoxalin-2-yloxybenzoic acid has a molecular weight of 280.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-quinoxalin-2-yloxybenzoic acid is sourced from PubChem (CID 107672759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).