2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H24N6O4 — CID 659126

IUPAC2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N6O4/c25-22-20(24(31)26-7-8-29-9-11-32-12-10-29)21-23(28-17-4-2-1-3-16(17)27-21)30(22)15-5-6-18-19(13-15)34-14-33-18/h1-6,13H,7-12,14,25H2,(H,26,31)
InChIKeyJLNJGNIASBGNGD-UHFFFAOYSA-N
MW460.49 g/mol
LogP1.95
Rot. Bonds5

About 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659126) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659126
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N6O4/c25-22-20(24(31)26-7-8-29-9-11-32-12-10-29)21-23(28-17-4-2-1-3-16(17)27-21)30(22)15-5-6-18-19(13-15)34-14-33-18/h1-6,13H,7-12,14,25H2,(H,26,31)
InChIKeyJLNJGNIASBGNGD-UHFFFAOYSA-N
XLogP1.95
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659126) is 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is JLNJGNIASBGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c25-22-20(24(31)26-7-8-29-9-11-32-12-10-29)21-23(28-17-4-2-1-3-16(17)27-21)30(22)15-5-6-18-19(13-15)34-14-33-18/h1-6,13H,7-12,14,25H2,(H,26,31).
What are the key properties of 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).