4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid

C14H14N2O4 — CID 107672576

IUPAC4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
SMILESCCn1ccnc(Oc2ccc(C(=O)O)c(C)c2)c1=O
InChIInChI=1S/C14H14N2O4/c1-3-16-7-6-15-12(13(16)17)20-10-4-5-11(14(18)19)9(2)8-10/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyDSJCOJNCDLGMLF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.06
Rot. Bonds4

About 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid

4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid (PubChem CID 107672576) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
PubChem CID107672576
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
SMILESCCn1ccnc(Oc2ccc(C(=O)O)c(C)c2)c1=O
InChIInChI=1S/C14H14N2O4/c1-3-16-7-6-15-12(13(16)17)20-10-4-5-11(14(18)19)9(2)8-10/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyDSJCOJNCDLGMLF-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
CID 62929919
1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
CID 133447202
3-(3-tert-butylphenoxy)-1-ethylpyrazin-2-one
CID 133447258
2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
CID 107672662
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 81443631
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
CID 133476976
5-(4-methyl-3-oxopyrazin-2-yl)oxy-2-nitrobenzoic acid
CID 107077887
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253
3-(4-bromo-3,5-dimethylphenoxy)-1-(2-methylpropyl)pyrazin-2-one
CID 103525411

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid?
The IUPAC name of 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid (CID 107672576) is 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid.
What is the SMILES notation for 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid?
The canonical SMILES for 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid is CCn1ccnc(Oc2ccc(C(=O)O)c(C)c2)c1=O.
What is the InChIKey of 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid?
The InChIKey is DSJCOJNCDLGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-16-7-6-15-12(13(16)17)20-10-4-5-11(14(18)19)9(2)8-10/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid?
4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid is sourced from PubChem (CID 107672576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).