4-heptan-3-yl-2,3-dihydro-1H-quinoxaline

C15H24N2 — CID 139398203

IUPAC4-heptan-3-yl-2,3-dihydro-1H-quinoxaline
SMILESCCCCC(CC)N1CCNc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-5-8-13(4-2)17-12-11-16-14-9-6-7-10-15(14)17/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3
InChIKeyLQCMXUMAHUNBAN-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.89
Rot. Bonds5

About 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline

4-heptan-3-yl-2,3-dihydro-1H-quinoxaline (PubChem CID 139398203) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-heptan-3-yl-2,3-dihydro-1H-quinoxaline
PubChem CID139398203
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-heptan-3-yl-2,3-dihydro-1H-quinoxaline
SMILESCCCCC(CC)N1CCNc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-5-8-13(4-2)17-12-11-16-14-9-6-7-10-15(14)17/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3
InChIKeyLQCMXUMAHUNBAN-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

1-Phenylpiperazine
CID 7096
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
1-(2-Fluorophenyl)piperazine
CID 70529
N,N'-Diphenylethylenediamine
CID 67422
1-(3-Fluorophenyl)piperazine
CID 77418
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-phenyl-
CID 74270
1-(4-Fluorophenyl)piperazine
CID 75260
2-(4-Methylpiperazin-1-yl)aniline
CID 286547
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
CID 74271
1-Phenylpiperazinium chloride
CID 75164

Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline (CID 139398203) is 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline is CCCCC(CC)N1CCNc2ccccc21.
What is the InChIKey of 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline?
The InChIKey is LQCMXUMAHUNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-5-8-13(4-2)17-12-11-16-14-9-6-7-10-15(14)17/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3.
What are the key properties of 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline?
4-heptan-3-yl-2,3-dihydro-1H-quinoxaline has a molecular weight of 232.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-yl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 139398203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).