4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium

C24H26N2+2 — CID 3093348

IUPAC4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium
SMILESCc1cc[n+](CCCC[n+]2ccc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C24H26N2/c1-19-13-17-25(23-11-5-3-9-21(19)23)15-7-8-16-26-18-14-20(2)22-10-4-6-12-24(22)26/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3/q+2
InChIKeyYYKRLCNZFGMJAG-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.67
Rot. Bonds5

About 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium

4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium (PubChem CID 3093348) has the molecular formula C24H26N2+2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium.

Molecular Properties

Compound Name4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium
PubChem CID3093348
Molecular FormulaC24H26N2+2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium
SMILESCc1cc[n+](CCCC[n+]2ccc(C)c3ccccc32)c2ccccc12
InChIInChI=1S/C24H26N2/c1-19-13-17-25(23-11-5-3-9-21(19)23)15-7-8-16-26-18-14-20(2)22-10-4-6-12-24(22)26/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3/q+2
InChIKeyYYKRLCNZFGMJAG-UHFFFAOYSA-N
XLogP4.67
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.67
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'}

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Related Compounds

4-methyl-1-[6-(4-methylquinolin-1-ium-1-yl)hexyl]quinolin-1-ium dibromide
CID 51063224
4-methyl-1-pentylquinolin-1-ium
CID 86110329
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
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
2-(4-methylquinolin-1-ium-1-yl)acetic acid bromide
CID 126572963
2-(4-methylquinolin-1-ium-1-yl)acetamide
CID 3277124
3-(4-methylquinolin-1-ium-1-yl)-2-oxopropanoic acid
CID 118032991
4-methyl-1-[2-(3-methylphenoxy)ethyl]quinolin-1-ium iodide
CID 159138090

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium?
The IUPAC name of 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium (CID 3093348) is 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium.
What is the SMILES notation for 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium?
The canonical SMILES for 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium is Cc1cc[n+](CCCC[n+]2ccc(C)c3ccccc32)c2ccccc12.
What is the InChIKey of 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium?
The InChIKey is YYKRLCNZFGMJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-19-13-17-25(23-11-5-3-9-21(19)23)15-7-8-16-26-18-14-20(2)22-10-4-6-12-24(22)26/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3/q+2.
What are the key properties of 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium?
4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium has a molecular weight of 342.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(4-methylquinolin-1-ium-1-yl)butyl]quinolin-1-ium is sourced from PubChem (CID 3093348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).