ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C21H20N4O2 — CID 987507

IUPACethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccccc2CC)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O2/c1-3-13-9-5-8-12-16(13)25-19(22)17(21(26)27-4-2)18-20(25)24-15-11-7-6-10-14(15)23-18/h5-12H,3-4,22H2,1-2H3
InChIKeyMZXZFEKXVLHCCJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.89
Rot. Bonds4

About ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 987507) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID987507
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Nameethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccccc2CC)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O2/c1-3-13-9-5-8-12-16(13)25-19(22)17(21(26)27-4-2)18-20(25)24-15-11-7-6-10-14(15)23-18/h5-12H,3-4,22H2,1-2H3
InChIKeyMZXZFEKXVLHCCJ-UHFFFAOYSA-N
XLogP3.89
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 987507) is ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(-c2ccccc2CC)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is MZXZFEKXVLHCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-13-9-5-8-12-16(13)25-19(22)17(21(26)27-4-2)18-20(25)24-15-11-7-6-10-14(15)23-18/h5-12H,3-4,22H2,1-2H3.
What are the key properties of ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 360.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 987507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).