ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate

C21H18N2O3 — CID 509476

IUPACethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C21H18N2O3/c1-2-25-21(24)15-9-11-16(12-10-15)26-14-18-20-8-5-13-23(20)19-7-4-3-6-17(19)22-18/h3-13H,2,14H2,1H3
InChIKeyMZRYYFPYCWRKQL-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.24
Rot. Bonds5

About ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate

ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate (PubChem CID 509476) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate
PubChem CID509476
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Nameethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C21H18N2O3/c1-2-25-21(24)15-9-11-16(12-10-15)26-14-18-20-8-5-13-23(20)19-7-4-3-6-17(19)22-18/h3-13H,2,14H2,1H3
InChIKeyMZRYYFPYCWRKQL-UHFFFAOYSA-N
XLogP4.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 9847081
4-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 9889248
Methyl 2-(2-quinoxalinyloxy)benzenecarboxylate
CID 3734302
1-(4-Methoxyphenyl)-2-(6-methyl-1-propylpyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone
CID 3122374
methyl 4-(2-hydroxy-3-((2-hydroxy-3-(1H-indol-1-y
CID 12005941
Methyl 3-[2-(7-methoxyquinolin-4-yl)oxyethyl]-2-oxo-1,3-benzoxazole-5-carboxylate
CID 127033396
Methyl 2-methyl-4-(13-quinolin-1-ium-1-yltridecoxy)benzoate bromide
CID 145965181
(7-Formyl-2,3-diphenylindolizin-1-yl) acetate
CID 9820017
7-Acetyl-2,3-diphenylindolizin-1-yl acetate
CID 13697758
methyl 1-[2-(4-methylphenoxy)ethyl]-1H-indole-3-carboxylate
CID 951968
(4-Methoxyphenyl)-[1-(1-morpholin-4-ylpropan-2-yl)indol-3-yl]methanone
CID 10022555
(7-Benzoyl-2,3-diphenylindolizin-1-yl) acetate
CID 10477852

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate?
The IUPAC name of ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate (CID 509476) is ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate.
What is the SMILES notation for ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate?
The canonical SMILES for ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate is CCOC(=O)c1ccc(OCc2nc3ccccc3n3cccc23)cc1.
What is the InChIKey of ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate?
The InChIKey is MZRYYFPYCWRKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-25-21(24)15-9-11-16(12-10-15)26-14-18-20-8-5-13-23(20)19-7-4-3-6-17(19)22-18/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate?
ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate has a molecular weight of 346.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate is sourced from PubChem (CID 509476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).