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

C21H28N6O2 — CID 659035

IUPAC2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21
InChIInChI=1S/C21H28N6O2/c1-14(2)13-27-19(22)17(21(28)23-7-8-26-9-11-29-12-10-26)18-20(27)25-16-6-4-3-5-15(16)24-18/h3-6,14H,7-13,22H2,1-2H3,(H,23,28)
InChIKeyOJZJBJXHNJXFCJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.88
Rot. Bonds6

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

2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659035) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659035
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21
InChIInChI=1S/C21H28N6O2/c1-14(2)13-27-19(22)17(21(28)23-7-8-26-9-11-29-12-10-26)18-20(27)25-16-6-4-3-5-15(16)24-18/h3-6,14H,7-13,22H2,1-2H3,(H,23,28)
InChIKeyOJZJBJXHNJXFCJ-UHFFFAOYSA-N
XLogP1.88
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.88
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-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659035) is 2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is CC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is OJZJBJXHNJXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14(2)13-27-19(22)17(21(28)23-7-8-26-9-11-29-12-10-26)18-20(27)25-16-6-4-3-5-15(16)24-18/h3-6,14H,7-13,22H2,1-2H3,(H,23,28).
What are the key properties of 2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 1.88, 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-methylpropyl)-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).