3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide

C17H20N4O — CID 30709253

IUPAC3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
SMILESCC(C)=CC(=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C17H20N4O/c1-12(2)11-15(22)20-16-17(21-9-5-6-10-21)19-14-8-4-3-7-13(14)18-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,20,22)
InChIKeyFAEDCRVXRWGHJC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide

3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide (PubChem CID 30709253) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
PubChem CID30709253
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
SMILESCC(C)=CC(=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C17H20N4O/c1-12(2)11-15(22)20-16-17(21-9-5-6-10-21)19-14-8-4-3-7-13(14)18-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,20,22)
InChIKeyFAEDCRVXRWGHJC-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24590254
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
CID 30177987
(E)-3-[2-(difluoromethoxy)phenyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)prop-2-enamide
CID 16602936
(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
CID 100651271
5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 55608009
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16582380
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851
(3-piperidin-1-ylquinoxalin-2-yl)hydrazine
CID 51345740

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide?
The IUPAC name of 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide (CID 30709253) is 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide is CC(C)=CC(=O)Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide?
The InChIKey is FAEDCRVXRWGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)11-15(22)20-16-17(21-9-5-6-10-21)19-14-8-4-3-7-13(14)18-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,18,20,22).
What are the key properties of 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide?
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide is sourced from PubChem (CID 30709253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).