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

C19H19N5O2S — CID 662400

IUPAC2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C19H19N5O2S/c1-26-9-8-24-17(20)15(19(25)21-11-12-5-4-10-27-12)16-18(24)23-14-7-3-2-6-13(14)22-16/h2-7,10H,8-9,11,20H2,1H3,(H,21,25)
InChIKeyCZPDFOGUMBHOHX-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.80
Rot. Bonds6

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

2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 662400) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID662400
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C19H19N5O2S/c1-26-9-8-24-17(20)15(19(25)21-11-12-5-4-10-27-12)16-18(24)23-14-7-3-2-6-13(14)22-16/h2-7,10H,8-9,11,20H2,1H3,(H,21,25)
InChIKeyCZPDFOGUMBHOHX-UHFFFAOYSA-N
XLogP2.80
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 662400) is 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is COCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is CZPDFOGUMBHOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-26-9-8-24-17(20)15(19(25)21-11-12-5-4-10-27-12)16-18(24)23-14-7-3-2-6-13(14)22-16/h2-7,10H,8-9,11,20H2,1H3,(H,21,25).
What are the key properties of 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 662400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).