2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C19H18N6O2S — CID 6881209

IUPAC2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N6O2S/c1-27-9-8-21-19(26)15-16-18(24-14-7-3-2-6-13(14)23-16)25(17(15)20)22-11-12-5-4-10-28-12/h2-7,10-11H,8-9,20H2,1H3,(H,21,26)/b22-11+
InChIKeyFQDRGFPEMWRYKM-SSDVNMTOSA-N
MW394.46 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 6881209) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID6881209
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N6O2S/c1-27-9-8-21-19(26)15-16-18(24-14-7-3-2-6-13(14)23-16)25(17(15)20)22-11-12-5-4-10-28-12/h2-7,10-11H,8-9,20H2,1H3,(H,21,26)/b22-11+
InChIKeyFQDRGFPEMWRYKM-SSDVNMTOSA-N
XLogP2.49
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 6881209) is 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is COCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is FQDRGFPEMWRYKM-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-27-9-8-21-19(26)15-16-18(24-14-7-3-2-6-13(14)23-16)25(17(15)20)22-11-12-5-4-10-28-12/h2-7,10-11H,8-9,20H2,1H3,(H,21,26)/b22-11+.
What are the key properties of 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 6881209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).