3-butylbenzo[g]quinoxaline

C16H16N2 — CID 156775499

IUPAC3-butylbenzo[g]quinoxaline
SMILESCCCCc1cnc2cc3ccccc3cc2n1
InChIInChI=1S/C16H16N2/c1-2-3-8-14-11-17-15-9-12-6-4-5-7-13(12)10-16(15)18-14/h4-7,9-11H,2-3,8H2,1H3
InChIKeyVKHOFHPWJCYQBF-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.13
Rot. Bonds3

About 3-butylbenzo[g]quinoxaline

3-butylbenzo[g]quinoxaline (PubChem CID 156775499) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-butylbenzo[g]quinoxaline.

Molecular Properties

Compound Name3-butylbenzo[g]quinoxaline
PubChem CID156775499
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-butylbenzo[g]quinoxaline
SMILESCCCCc1cnc2cc3ccccc3cc2n1
InChIInChI=1S/C16H16N2/c1-2-3-8-14-11-17-15-9-12-6-4-5-7-13(12)10-16(15)18-14/h4-7,9-11H,2-3,8H2,1H3
InChIKeyVKHOFHPWJCYQBF-UHFFFAOYSA-N
XLogP4.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-butylbenzo[g]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

2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
6,7-dichloro-2-hexylquinoxaline
CID 156775502
6,7-dibromo-2-hexylquinoxaline
CID 156775501
benzene;3-pentylisoquinoline
CID 175224692
6-nitro-2-octylquinoxaline
CID 139992057
6-fluoro-2-propylquinoxaline
CID 144941009
3-methylquinoline;pentane
CID 145470784
3-pentylphenanthridine
CID 159687285
3-butylsulfanylquinoline
CID 118174551
2,3-dibutylquinoxaline
CID 14641798
2-butyl-3-methylnaphthalene
CID 173304138

Frequently Asked Questions

What is the IUPAC name of 3-butylbenzo[g]quinoxaline?
The IUPAC name of 3-butylbenzo[g]quinoxaline (CID 156775499) is 3-butylbenzo[g]quinoxaline.
What is the SMILES notation for 3-butylbenzo[g]quinoxaline?
The canonical SMILES for 3-butylbenzo[g]quinoxaline is CCCCc1cnc2cc3ccccc3cc2n1.
What is the InChIKey of 3-butylbenzo[g]quinoxaline?
The InChIKey is VKHOFHPWJCYQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-3-8-14-11-17-15-9-12-6-4-5-7-13(12)10-16(15)18-14/h4-7,9-11H,2-3,8H2,1H3.
What are the key properties of 3-butylbenzo[g]quinoxaline?
3-butylbenzo[g]quinoxaline has a molecular weight of 236.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylbenzo[g]quinoxaline is sourced from PubChem (CID 156775499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).