2-hexadecyl-6-methylquinoline

C26H41N — CID 4997368

IUPAC2-hexadecyl-6-methylquinoline
SMILESCCCCCCCCCCCCCCCCc1ccc2cc(C)ccc2n1
InChIInChI=1S/C26H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20-19-24-22-23(2)18-21-26(24)27-25/h18-22H,3-17H2,1-2H3
InChIKeyHAYXYRZYJDDRHO-UHFFFAOYSA-N
MW367.62 g/mol
LogP8.57
Rot. Bonds15

About 2-hexadecyl-6-methylquinoline

2-hexadecyl-6-methylquinoline (PubChem CID 4997368) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is 2-hexadecyl-6-methylquinoline.

Molecular Properties

Compound Name2-hexadecyl-6-methylquinoline
PubChem CID4997368
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC Name2-hexadecyl-6-methylquinoline
SMILESCCCCCCCCCCCCCCCCc1ccc2cc(C)ccc2n1
InChIInChI=1S/C26H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20-19-24-22-23(2)18-21-26(24)27-25/h18-22H,3-17H2,1-2H3
InChIKeyHAYXYRZYJDDRHO-UHFFFAOYSA-N
XLogP8.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexadecyl-6-methylquinoline 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 2-hexadecyl-6-methylquinoline?
The IUPAC name of 2-hexadecyl-6-methylquinoline (CID 4997368) is 2-hexadecyl-6-methylquinoline.
What is the SMILES notation for 2-hexadecyl-6-methylquinoline?
The canonical SMILES for 2-hexadecyl-6-methylquinoline is CCCCCCCCCCCCCCCCc1ccc2cc(C)ccc2n1.
What is the InChIKey of 2-hexadecyl-6-methylquinoline?
The InChIKey is HAYXYRZYJDDRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20-19-24-22-23(2)18-21-26(24)27-25/h18-22H,3-17H2,1-2H3.
What are the key properties of 2-hexadecyl-6-methylquinoline?
2-hexadecyl-6-methylquinoline has a molecular weight of 367.62 g/mol, XLogP of 8.57, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyl-6-methylquinoline is sourced from PubChem (CID 4997368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).