8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid

C23H17N5O4 — CID 1400081

IUPAC8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid
SMILESCCOC(=O)c1c(N)n(-c2cccc3ccc(C(=O)O)nc23)c2nc3ccccc3nc12
InChIInChI=1S/C23H17N5O4/c1-2-32-23(31)17-19-21(27-14-8-4-3-7-13(14)25-19)28(20(17)24)16-9-5-6-12-10-11-15(22(29)30)26-18(12)16/h3-11H,2,24H2,1H3,(H,29,30)
InChIKeyUCKPGZCZLMNWLE-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.58
Rot. Bonds4

About 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid

8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid (PubChem CID 1400081) has the molecular formula C23H17N5O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid
PubChem CID1400081
Molecular FormulaC23H17N5O4
Molecular Weight427.42 g/mol
Exact Mass427.13
IUPAC Name8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid
SMILESCCOC(=O)c1c(N)n(-c2cccc3ccc(C(=O)O)nc23)c2nc3ccccc3nc12
InChIInChI=1S/C23H17N5O4/c1-2-32-23(31)17-19-21(27-14-8-4-3-7-13(14)25-19)28(20(17)24)16-9-5-6-12-10-11-15(22(29)30)26-18(12)16/h3-11H,2,24H2,1H3,(H,29,30)
InChIKeyUCKPGZCZLMNWLE-UHFFFAOYSA-N
XLogP3.58
TPSA133.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid with MolForge

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Related Compounds

ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2340669
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442
ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444
ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2429301
ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 21007755
octyl 2-amino-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3436221
3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
CID 7062690
[(2R)-butan-2-yl] 2-amino-1-(3-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40955162
2-ethoxycarbonylquinoline-8-carboxylic acid
CID 141289138
propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021301

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid?
The IUPAC name of 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid (CID 1400081) is 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid is CCOC(=O)c1c(N)n(-c2cccc3ccc(C(=O)O)nc23)c2nc3ccccc3nc12.
What is the InChIKey of 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid?
The InChIKey is UCKPGZCZLMNWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O4/c1-2-32-23(31)17-19-21(27-14-8-4-3-7-13(14)25-19)28(20(17)24)16-9-5-6-12-10-11-15(22(29)30)26-18(12)16/h3-11H,2,24H2,1H3,(H,29,30).
What are the key properties of 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid?
8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid has a molecular weight of 427.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)quinoline-2-carboxylic acid is sourced from PubChem (CID 1400081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).