2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate

C19H18N2O4 — CID 7676700

IUPAC2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate
SMILESCCOc1ccc(OCCOC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H18N2O4/c1-2-23-15-4-6-16(7-5-15)24-11-12-25-19(22)14-3-8-17-18(13-14)21-10-9-20-17/h3-10,13H,2,11-12H2,1H3
InChIKeyKIKBOOZRNVUIBB-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.26
Rot. Bonds7

About 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate

2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate (PubChem CID 7676700) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate
PubChem CID7676700
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate
SMILESCCOc1ccc(OCCOC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C19H18N2O4/c1-2-23-15-4-6-16(7-5-15)24-11-12-25-19(22)14-3-8-17-18(13-14)21-10-9-20-17/h3-10,13H,2,11-12H2,1H3
InChIKeyKIKBOOZRNVUIBB-UHFFFAOYSA-N
XLogP3.26
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676643
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
3-pyridin-4-ylpropyl 4-ethoxybenzoate
CID 134050749
2-propan-2-yloxyethyl 4-ethoxybenzoate
CID 78790018
[4-[2-[2-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyethoxy]ethoxycarbonyl]phenyl] 4-ethoxybenzoate
CID 101052638
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624
2-(4-ethoxyphenoxy)ethyl 4-methylsulfonyl-3-nitrobenzoate
CID 2620240
2-(4-ethoxyphenoxy)ethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753630
2-(4-methoxyphenoxy)ethyl 1-ethylbenzotriazole-5-carboxylate
CID 7805787
2-(4-ethoxyphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7699653
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676604

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate (CID 7676700) is 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate is CCOc1ccc(OCCOC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate?
The InChIKey is KIKBOOZRNVUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-23-15-4-6-16(7-5-15)24-11-12-25-19(22)14-3-8-17-18(13-14)21-10-9-20-17/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate?
2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl quinoxaline-6-carboxylate is sourced from PubChem (CID 7676700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).