3-butyl-6-hexyl-2-methylquinoxaline

C19H28N2 — CID 58269849

IUPAC3-butyl-6-hexyl-2-methylquinoxaline
SMILESCCCCCCc1ccc2nc(C)c(CCCC)nc2c1
InChIInChI=1S/C19H28N2/c1-4-6-8-9-10-16-12-13-18-19(14-16)21-17(11-7-5-2)15(3)20-18/h12-14H,4-11H2,1-3H3
InChIKeyBWUKNQNZTRESPC-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.40
Rot. Bonds8

About 3-butyl-6-hexyl-2-methylquinoxaline

3-butyl-6-hexyl-2-methylquinoxaline (PubChem CID 58269849) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-butyl-6-hexyl-2-methylquinoxaline.

Molecular Properties

Compound Name3-butyl-6-hexyl-2-methylquinoxaline
PubChem CID58269849
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name3-butyl-6-hexyl-2-methylquinoxaline
SMILESCCCCCCc1ccc2nc(C)c(CCCC)nc2c1
InChIInChI=1S/C19H28N2/c1-4-6-8-9-10-16-12-13-18-19(14-16)21-17(11-7-5-2)15(3)20-18/h12-14H,4-11H2,1-3H3
InChIKeyBWUKNQNZTRESPC-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butyl-6-hexyl-2-methylquinoxaline 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-butyl-4-nonylbenzene
CID 59545302
6-butyl-2,3-dimethylquinolin-4-amine
CID 62202924
2-(4-decylphenyl)-6-octylquinoxaline
CID 59933390
18-ethyl-7-hexyl-2,11,15-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59467624
6-butyl-2-methyl-3,4-diphenylquinoline
CID 134847641
6-(2-chloroethyl)-2,3-dimethylquinoxaline
CID 18436913
5-hexyl-1,3-benzoxazole
CID 90964458
5-hexyl-2,1-benzoxazole
CID 67428242
3-hexylacridine
CID 21394642
6-butyl-3-ethyl-2-methylquinolin-4-amine
CID 55195960
2-chloro-6-hexyl-4-methylquinoline
CID 86217058
5-octyl-2-phenylbenzotriazole
CID 174311499

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-hexyl-2-methylquinoxaline?
The IUPAC name of 3-butyl-6-hexyl-2-methylquinoxaline (CID 58269849) is 3-butyl-6-hexyl-2-methylquinoxaline.
What is the SMILES notation for 3-butyl-6-hexyl-2-methylquinoxaline?
The canonical SMILES for 3-butyl-6-hexyl-2-methylquinoxaline is CCCCCCc1ccc2nc(C)c(CCCC)nc2c1.
What is the InChIKey of 3-butyl-6-hexyl-2-methylquinoxaline?
The InChIKey is BWUKNQNZTRESPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-6-8-9-10-16-12-13-18-19(14-16)21-17(11-7-5-2)15(3)20-18/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-butyl-6-hexyl-2-methylquinoxaline?
3-butyl-6-hexyl-2-methylquinoxaline has a molecular weight of 284.45 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-hexyl-2-methylquinoxaline is sourced from PubChem (CID 58269849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).