2-cyclododecyl-4-methylquinoline

C22H31N — CID 10566873

IUPAC2-cyclododecyl-4-methylquinoline
SMILESCc1cc(C2CCCCCCCCCCC2)nc2ccccc12
InChIInChI=1S/C22H31N/c1-18-17-22(23-21-16-12-11-15-20(18)21)19-13-9-7-5-3-2-4-6-8-10-14-19/h11-12,15-17,19H,2-10,13-14H2,1H3
InChIKeyFHSSZOHIHIBQJF-UHFFFAOYSA-N
MW309.50 g/mol
LogP6.93
Rot. Bonds1

About 2-cyclododecyl-4-methylquinoline

2-cyclododecyl-4-methylquinoline (PubChem CID 10566873) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-cyclododecyl-4-methylquinoline.

Molecular Properties

Compound Name2-cyclododecyl-4-methylquinoline
PubChem CID10566873
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name2-cyclododecyl-4-methylquinoline
SMILESCc1cc(C2CCCCCCCCCCC2)nc2ccccc12
InChIInChI=1S/C22H31N/c1-18-17-22(23-21-16-12-11-15-20(18)21)19-13-9-7-5-3-2-4-6-8-10-14-19/h11-12,15-17,19H,2-10,13-14H2,1H3
InChIKeyFHSSZOHIHIBQJF-UHFFFAOYSA-N
XLogP6.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclododecyl-4-methylquinoline?
The IUPAC name of 2-cyclododecyl-4-methylquinoline (CID 10566873) is 2-cyclododecyl-4-methylquinoline.
What is the SMILES notation for 2-cyclododecyl-4-methylquinoline?
The canonical SMILES for 2-cyclododecyl-4-methylquinoline is Cc1cc(C2CCCCCCCCCCC2)nc2ccccc12.
What is the InChIKey of 2-cyclododecyl-4-methylquinoline?
The InChIKey is FHSSZOHIHIBQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-18-17-22(23-21-16-12-11-15-20(18)21)19-13-9-7-5-3-2-4-6-8-10-14-19/h11-12,15-17,19H,2-10,13-14H2,1H3.
What are the key properties of 2-cyclododecyl-4-methylquinoline?
2-cyclododecyl-4-methylquinoline has a molecular weight of 309.50 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclododecyl-4-methylquinoline is sourced from PubChem (CID 10566873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).