ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H26N5O3+ — CID 7358559

IUPACethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C20H25N5O3/c1-2-28-20(26)16-17-19(23-15-7-4-3-6-14(15)22-17)25(18(16)21)9-5-8-24-10-12-27-13-11-24/h3-4,6-7H,2,5,8-13,21H2,1H3/p+1
InChIKeyZVTFJJKODIVNTD-UHFFFAOYSA-O
MW384.46 g/mol
LogP0.65
Rot. Bonds6

About ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 7358559) has the molecular formula C20H26N5O3+ and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID7358559
Molecular FormulaC20H26N5O3+
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Nameethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C20H25N5O3/c1-2-28-20(26)16-17-19(23-15-7-4-3-6-14(15)22-17)25(18(16)21)9-5-8-24-10-12-27-13-11-24/h3-4,6-7H,2,5,8-13,21H2,1H3/p+1
InChIKeyZVTFJJKODIVNTD-UHFFFAOYSA-O
XLogP0.65
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

SIRT1 Activator 3
CID 1882365
ethyl 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 987485
2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 662388
11-(2-methylpropyl)-3-[2-(morpholin-4-yl)ethyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
CID 660123
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
2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 663108
Ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2334194
methyl 2-amino-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705178
Sklb-11A
CID 987502
2-amino-1-(2-methylpropyl)-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 659035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 7358559) is ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is ZVTFJJKODIVNTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N5O3/c1-2-28-20(26)16-17-19(23-15-7-4-3-6-14(15)22-17)25(18(16)21)9-5-8-24-10-12-27-13-11-24/h3-4,6-7H,2,5,8-13,21H2,1H3/p+1.
What are the key properties of ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 7358559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).