2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C22H24N6O3 — CID 659293

IUPAC2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
InChIInChI=1S/C22H24N6O3/c23-20-18(22(29)24-7-8-27-9-12-30-13-10-27)19-21(28(20)14-15-4-3-11-31-15)26-17-6-2-1-5-16(17)25-19/h1-6,11H,7-10,12-14,23H2,(H,24,29)
InChIKeyBKXOUWZCTUCIIO-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.87
Rot. Bonds6

About 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659293) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659293
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
InChIInChI=1S/C22H24N6O3/c23-20-18(22(29)24-7-8-27-9-12-30-13-10-27)19-21(28(20)14-15-4-3-11-31-15)26-17-6-2-1-5-16(17)25-19/h1-6,11H,7-10,12-14,23H2,(H,24,29)
InChIKeyBKXOUWZCTUCIIO-UHFFFAOYSA-N
XLogP1.87
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659293) is 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1.
What is the InChIKey of 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is BKXOUWZCTUCIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c23-20-18(22(29)24-7-8-27-9-12-30-13-10-27)19-21(28(20)14-15-4-3-11-31-15)26-17-6-2-1-5-16(17)25-19/h1-6,11H,7-10,12-14,23H2,(H,24,29).
What are the key properties of 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).