6-dodecyl-2,2,4-trimethyl-1H-quinoline

C24H39N — CID 6965

IUPAC6-dodecyl-2,2,4-trimethyl-1H-quinoline
SMILESCCCCCCCCCCCCc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C24H39N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-19,25H,5-15H2,1-4H3
InChIKeyDOFLWDGGNKBGSL-UHFFFAOYSA-N
MW341.58 g/mol
LogP7.76
Rot. Bonds11

About 6-dodecyl-2,2,4-trimethyl-1H-quinoline

6-dodecyl-2,2,4-trimethyl-1H-quinoline (PubChem CID 6965) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is 6-dodecyl-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-dodecyl-2,2,4-trimethyl-1H-quinoline
PubChem CID6965
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name6-dodecyl-2,2,4-trimethyl-1H-quinoline
SMILESCCCCCCCCCCCCc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C24H39N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-19,25H,5-15H2,1-4H3
InChIKeyDOFLWDGGNKBGSL-UHFFFAOYSA-N
XLogP7.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-dodecyl-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-dodecyl-2,2,4-trimethyl-1H-quinoline (CID 6965) is 6-dodecyl-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-dodecyl-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-dodecyl-2,2,4-trimethyl-1H-quinoline is CCCCCCCCCCCCc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-dodecyl-2,2,4-trimethyl-1H-quinoline?
The InChIKey is DOFLWDGGNKBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-19,25H,5-15H2,1-4H3.
What are the key properties of 6-dodecyl-2,2,4-trimethyl-1H-quinoline?
6-dodecyl-2,2,4-trimethyl-1H-quinoline has a molecular weight of 341.58 g/mol, XLogP of 7.76, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecyl-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 6965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).