4-methyl-1-pentylquinolin-1-ium

C15H20N+ — CID 86110329

IUPAC4-methyl-1-pentylquinolin-1-ium
SMILESCCCCC[n+]1ccc(C)c2ccccc21
InChIInChI=1S/C15H20N/c1-3-4-7-11-16-12-10-13(2)14-8-5-6-9-15(14)16/h5-6,8-10,12H,3-4,7,11H2,1-2H3/q+1
InChIKeyOYEVBCNFSOJYMD-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.63
Rot. Bonds4

About 4-methyl-1-pentylquinolin-1-ium

4-methyl-1-pentylquinolin-1-ium (PubChem CID 86110329) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-methyl-1-pentylquinolin-1-ium.

Molecular Properties

Compound Name4-methyl-1-pentylquinolin-1-ium
PubChem CID86110329
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Name4-methyl-1-pentylquinolin-1-ium
SMILESCCCCC[n+]1ccc(C)c2ccccc21
InChIInChI=1S/C15H20N/c1-3-4-7-11-16-12-10-13(2)14-8-5-6-9-15(14)16/h5-6,8-10,12H,3-4,7,11H2,1-2H3/q+1
InChIKeyOYEVBCNFSOJYMD-UHFFFAOYSA-N
XLogP3.63
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-methyl-1-pentylquinolin-1-ium 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

4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium
CID 3093348
4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide
CID 51063224
3-(4-methylquinolin-1-ium-1-yl)propan-1-amine
CID 59274376
6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide
CID 67262652
S-[10-(4-methylquinolin-1-ium-1-yl)decyl] ethanethioate iodide
CID 71361675
5-hexylphenanthridin-5-ium
CID 10015686
1-decyl-4-[(E)-2-(1H-indol-3-yl)ethenyl]quinolin-1-ium
CID 53315732
1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
CID 10842005
2-(4-methylquinolin-1-ium-1-yl)acetic acid
CID 20566432
4-methoxy-1-[10-(4-methoxyquinolin-1-ium-1-yl)decyl]quinolin-1-ium
CID 67367495
4-[2-(1-decylquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylnaphthalen-1-amine
CID 90739029
2-(4-methylquinolin-1-ium-1-yl)acetamide
CID 3277124

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentylquinolin-1-ium?
The IUPAC name of 4-methyl-1-pentylquinolin-1-ium (CID 86110329) is 4-methyl-1-pentylquinolin-1-ium.
What is the SMILES notation for 4-methyl-1-pentylquinolin-1-ium?
The canonical SMILES for 4-methyl-1-pentylquinolin-1-ium is CCCCC[n+]1ccc(C)c2ccccc21.
What is the InChIKey of 4-methyl-1-pentylquinolin-1-ium?
The InChIKey is OYEVBCNFSOJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N/c1-3-4-7-11-16-12-10-13(2)14-8-5-6-9-15(14)16/h5-6,8-10,12H,3-4,7,11H2,1-2H3/q+1.
What are the key properties of 4-methyl-1-pentylquinolin-1-ium?
4-methyl-1-pentylquinolin-1-ium has a molecular weight of 214.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentylquinolin-1-ium is sourced from PubChem (CID 86110329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).