ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H18N4O3 — CID 987485

IUPACethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O3/c1-3-27-20(25)16-17-19(23-15-10-5-4-9-14(15)22-17)24(18(16)21)12-7-6-8-13(11-12)26-2/h4-11H,3,21H2,1-2H3
InChIKeyLLLRRTICLRYONP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.34
Rot. Bonds4

About ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 987485) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID987485
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Nameethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O3/c1-3-27-20(25)16-17-19(23-15-10-5-4-9-14(15)22-17)24(18(16)21)12-7-6-8-13(11-12)26-2/h4-11H,3,21H2,1-2H3
InChIKeyLLLRRTICLRYONP-UHFFFAOYSA-N
XLogP3.34
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 938979
(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 91933866
ethyl 2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705218
Ethyl 2-amino-1-(4-ethylphenyl)-1H-pyrrolo(2,3-B)quinoxaline-3-carboxylate
CID 987449
2-Amino-1-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
CID 1900690
butyl 2-amino-1-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 1980919
2-Amino-1-(5-methoxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 118386917
2-amino-1-(5-hydroxy-2-methylphenyl)-N-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168277242
2-Amino-1-(3-hydroxy-2-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 168288812
methyl 2-amino-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705178
2-amino-1-(1,3-benzodioxol-5-yl)-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659088
2-amino-1-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide
CID 659126

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 987485) is ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is LLLRRTICLRYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-27-20(25)16-17-19(23-15-10-5-4-9-14(15)22-17)24(18(16)21)12-7-6-8-13(11-12)26-2/h4-11H,3,21H2,1-2H3.
What are the key properties of ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 987485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).