2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C19H25N5O2 — CID 662388

IUPAC2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
InChIInChI=1S/C19H25N5O2/c1-4-12(2)21-19(25)15-16-18(24(17(15)20)10-7-11-26-3)23-14-9-6-5-8-13(14)22-16/h5-6,8-9,12H,4,7,10-11,20H2,1-3H3,(H,21,25)
InChIKeyHEAMIFJGVRILPU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.73
Rot. Bonds7

About 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 662388) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID662388
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
InChIInChI=1S/C19H25N5O2/c1-4-12(2)21-19(25)15-16-18(24(17(15)20)10-7-11-26-3)23-14-9-6-5-8-13(14)22-16/h5-6,8-9,12H,4,7,10-11,20H2,1-3H3,(H,21,25)
InChIKeyHEAMIFJGVRILPU-UHFFFAOYSA-N
XLogP2.73
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 662388) is 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is HEAMIFJGVRILPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-12(2)21-19(25)15-16-18(24(17(15)20)10-7-11-26-3)23-14-9-6-5-8-13(14)22-16/h5-6,8-9,12H,4,7,10-11,20H2,1-3H3,(H,21,25).
What are the key properties of 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 662388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).