1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide

C24H42IN — CID 162129654

IUPAC1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide
SMILESCCCCCCCCCCCCCC[N+]1(C)CCCc2ccccc21.[I-]
InChIInChI=1S/C24H42N.HI/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-25(2)22-17-19-23-18-14-15-20-24(23)25;/h14-15,18,20H,3-13,16-17,19,21-22H2,1-2H3;1H/q+1;/p-1
InChIKeyZIMOQMYTFOBRCP-UHFFFAOYSA-M
MW471.51 g/mol
LogP4.28
Rot. Bonds13

About 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide

1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide (PubChem CID 162129654) has the molecular formula C24H42IN and a molecular weight of 471.51 g/mol. Its IUPAC name is 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide
PubChem CID162129654
Molecular FormulaC24H42IN
Molecular Weight471.51 g/mol
Exact Mass471.24
IUPAC Name1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide
SMILESCCCCCCCCCCCCCC[N+]1(C)CCCc2ccccc21.[I-]
InChIInChI=1S/C24H42N.HI/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-25(2)22-17-19-23-18-14-15-20-24(23)25;/h14-15,18,20H,3-13,16-17,19,21-22H2,1-2H3;1H/q+1;/p-1
InChIKeyZIMOQMYTFOBRCP-UHFFFAOYSA-M
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-dodecyl-3-methyl-1,2-dihydrobenzimidazol-3-ium chloride
CID 70480421
2-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium iodide
CID 71408967
1-butyl-1-methylpyrrolidin-1-ium-2-one bromide
CID 154701921
1-octadecyl-1-phenylpyrrolidin-1-ium
CID 69396150
4-[(1-dodecyl-1-methylpyrrolidin-1-ium-2-ylidene)amino]phenol bromide
CID 175665210
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
1-benzyl-1-methyl-2,3-dihydroindol-1-ium bromide
CID 163299654
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide?
The IUPAC name of 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide (CID 162129654) is 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide.
What is the SMILES notation for 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide?
The canonical SMILES for 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide is CCCCCCCCCCCCCC[N+]1(C)CCCc2ccccc21.[I-].
What is the InChIKey of 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide?
The InChIKey is ZIMOQMYTFOBRCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H42N.HI/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-25(2)22-17-19-23-18-14-15-20-24(23)25;/h14-15,18,20H,3-13,16-17,19,21-22H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide?
1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide has a molecular weight of 471.51 g/mol, XLogP of 4.28, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-tetradecyl-3,4-dihydro-2H-quinolin-1-ium iodide is sourced from PubChem (CID 162129654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).