ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H26N4O2 — CID 24870959

IUPACethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3c(nc12)CCCC3
InChIInChI=1S/C19H26N4O2/c1-2-25-19(24)15-16-18(22-14-11-7-6-10-13(14)21-16)23(17(15)20)12-8-4-3-5-9-12/h12H,2-11,20H2,1H3
InChIKeyDPZQTQRBQVKIQD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.57
Rot. Bonds3

About ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 24870959) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID24870959
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nameethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3c(nc12)CCCC3
InChIInChI=1S/C19H26N4O2/c1-2-25-19(24)15-16-18(22-14-11-7-6-10-13(14)21-16)23(17(15)20)12-8-4-3-5-9-12/h12H,2-11,20H2,1H3
InChIKeyDPZQTQRBQVKIQD-UHFFFAOYSA-N
XLogP3.57
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 24870959) is ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(C2CCCCC2)c2nc3c(nc12)CCCC3.
What is the InChIKey of ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is DPZQTQRBQVKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-25-19(24)15-16-18(22-14-11-7-6-10-13(14)21-16)23(17(15)20)12-8-4-3-5-9-12/h12H,2-11,20H2,1H3.
What are the key properties of ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-cyclohexyl-5,6,7,8-tetrahydropyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 24870959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).