propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C22H22N4O3 — CID 2021301

IUPACpropyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H22N4O3/c1-3-13-29-22(27)18-19-21(25-17-8-6-5-7-16(17)24-19)26(20(18)23)14-9-11-15(12-10-14)28-4-2/h5-12H,3-4,13,23H2,1-2H3
InChIKeyNSIWYDYBQRUDGH-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.12
Rot. Bonds6

About propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2021301) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2021301
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namepropyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H22N4O3/c1-3-13-29-22(27)18-19-21(25-17-8-6-5-7-16(17)24-19)26(20(18)23)14-9-11-15(12-10-14)28-4-2/h5-12H,3-4,13,23H2,1-2H3
InChIKeyNSIWYDYBQRUDGH-UHFFFAOYSA-N
XLogP4.12
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2005816
hexyl 2-amino-1-(4-propoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2041444
octyl 2-amino-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3436221
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
octyl 2-amino-1-(4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3714120
[(2R)-2-methylbutyl] 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084912
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442
ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 21007755
ethyl 2-[[2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2376454
propyl 4-[2-amino-3-(heptylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
CID 3796765

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2021301) is propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12.
What is the InChIKey of propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is NSIWYDYBQRUDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-13-29-22(27)18-19-21(25-17-8-6-5-7-16(17)24-19)26(20(18)23)14-9-11-15(12-10-14)28-4-2/h5-12H,3-4,13,23H2,1-2H3.
What are the key properties of propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2021301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).