propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H18N4O2S — CID 2022793

IUPACpropyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N4O2S/c1-2-9-25-19(24)15-16-18(22-14-8-4-3-7-13(14)21-16)23(17(15)20)11-12-6-5-10-26-12/h3-8,10H,2,9,11,20H2,1H3
InChIKeyIGODAMKJNDXLHY-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.84
Rot. Bonds5

About propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2022793) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2022793
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Namepropyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N4O2S/c1-2-9-25-19(24)15-16-18(22-14-8-4-3-7-13(14)21-16)23(17(15)20)11-12-6-5-10-26-12/h3-8,10H,2,9,11,20H2,1H3
InChIKeyIGODAMKJNDXLHY-UHFFFAOYSA-N
XLogP3.84
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-1-pentyl-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 1864686
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
Methyl 2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1930774
2-[[[2-Amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
CID 1927171
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-Methoxyethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 660498
1-Methoxypropan-2-yl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 660685
tert-butyl 2-amino-1-(3-(2-oxopyrrolidin-1-yl)propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 661714

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2022793) is propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12.
What is the InChIKey of propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is IGODAMKJNDXLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-9-25-19(24)15-16-18(22-14-8-4-3-7-13(14)21-16)23(17(15)20)11-12-6-5-10-26-12/h3-8,10H,2,9,11,20H2,1H3.
What are the key properties of propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 366.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2022793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).