(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide

C17H21N3O — CID 33075877

IUPAC(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)CCCNC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-13(2)6-5-11-18-17(21)10-9-14-12-19-15-7-3-4-8-16(15)20-14/h3-4,7-10,12-13H,5-6,11H2,1-2H3,(H,18,21)/b10-9+
InChIKeyKPVAHCURGFHKGQ-MDZDMXLPSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds6

About (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 33075877) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID33075877
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(C)CCCNC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-13(2)6-5-11-18-17(21)10-9-14-12-19-15-7-3-4-8-16(15)20-14/h3-4,7-10,12-13H,5-6,11H2,1-2H3,(H,18,21)/b10-9+
InChIKeyKPVAHCURGFHKGQ-MDZDMXLPSA-N
XLogP3.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide (CID 33075877) is (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide is CC(C)CCCNC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is KPVAHCURGFHKGQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(2)6-5-11-18-17(21)10-9-14-12-19-15-7-3-4-8-16(15)20-14/h3-4,7-10,12-13H,5-6,11H2,1-2H3,(H,18,21)/b10-9+.
What are the key properties of (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 283.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 33075877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).