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

C14H14N2O5 — CID 62929919

IUPAC2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
SMILESCCn1ccnc(Oc2cc(OC)ccc2C(=O)O)c1=O
InChIInChI=1S/C14H14N2O5/c1-3-16-7-6-15-12(13(16)17)21-11-8-9(20-2)4-5-10(11)14(18)19/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyDHNLQDZWNWICRG-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.76
Rot. Bonds5

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

2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid (PubChem CID 62929919) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
PubChem CID62929919
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
SMILESCCn1ccnc(Oc2cc(OC)ccc2C(=O)O)c1=O
InChIInChI=1S/C14H14N2O5/c1-3-16-7-6-15-12(13(16)17)21-11-8-9(20-2)4-5-10(11)14(18)19/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyDHNLQDZWNWICRG-UHFFFAOYSA-N
XLogP1.76
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
CID 107672576
3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
CID 102703068
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
1-ethyl-3-(4-propanoylphenoxy)pyrazin-2-one
CID 133447202
3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 81443631
4-bromo-2-(1-ethylimidazol-2-yl)oxybenzoic acid
CID 62138804
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
2-(3-ethyltriazol-4-yl)oxy-4-methoxybenzoic acid
CID 114223201
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
4-methoxy-2-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 61395996

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid?
The IUPAC name of 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid (CID 62929919) is 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid.
What is the SMILES notation for 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid?
The canonical SMILES for 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid is CCn1ccnc(Oc2cc(OC)ccc2C(=O)O)c1=O.
What is the InChIKey of 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid?
The InChIKey is DHNLQDZWNWICRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-3-16-7-6-15-12(13(16)17)21-11-8-9(20-2)4-5-10(11)14(18)19/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid?
2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid has a molecular weight of 290.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid is sourced from PubChem (CID 62929919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).