ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H16N8O2 — CID 21007755

IUPACethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc(-n3cnnn3)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H16N8O2/c1-2-30-20(29)16-17-19(24-15-6-4-3-5-14(15)23-17)28(18(16)21)13-9-7-12(8-10-13)27-11-22-25-26-27/h3-11H,2,21H2,1H3
InChIKeyIPNYSJRKQWUQQT-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.31
Rot. Bonds4

About ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 21007755) has the molecular formula C20H16N8O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID21007755
Molecular FormulaC20H16N8O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Nameethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc(-n3cnnn3)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H16N8O2/c1-2-30-20(29)16-17-19(24-15-6-4-3-5-14(15)23-17)28(18(16)21)13-9-7-12(8-10-13)27-11-22-25-26-27/h3-11H,2,21H2,1H3
InChIKeyIPNYSJRKQWUQQT-UHFFFAOYSA-N
XLogP2.31
TPSA126.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
2-methylbutyl 1-(4-acetylphenyl)-2-aminopyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3796161
propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021301
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2005816
[(2R)-oxolan-2-yl]methyl 2-amino-1-(4-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852214
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
[(2R)-2-methylbutyl] 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084912
octyl 2-amino-1-(4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3714120

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 21007755) is ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(-c2ccc(-n3cnnn3)cc2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is IPNYSJRKQWUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O2/c1-2-30-20(29)16-17-19(24-15-6-4-3-5-14(15)23-17)28(18(16)21)13-9-7-12(8-10-13)27-11-22-25-26-27/h3-11H,2,21H2,1H3.
What are the key properties of ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 400.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 21007755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).