6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide

C16H20INO2 — CID 67262652

IUPAC6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide
SMILESCc1cc[n+](CCCCCC(=O)O)c2ccccc12.[I-]
InChIInChI=1S/C16H19NO2.HI/c1-13-10-12-17(11-6-2-3-9-16(18)19)15-8-5-4-7-14(13)15;/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3;1H
InChIKeyKYHDQUZUDQBISD-UHFFFAOYSA-N
MW385.25 g/mol
LogP0.08
Rot. Bonds6

About 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide

6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide (PubChem CID 67262652) has the molecular formula C16H20INO2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide.

Molecular Properties

Compound Name6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide
PubChem CID67262652
Molecular FormulaC16H20INO2
Molecular Weight385.25 g/mol
Exact Mass385.05
IUPAC Name6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide
SMILESCc1cc[n+](CCCCCC(=O)O)c2ccccc12.[I-]
InChIInChI=1S/C16H19NO2.HI/c1-13-10-12-17(11-6-2-3-9-16(18)19)15-8-5-4-7-14(13)15;/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3;1H
InChIKeyKYHDQUZUDQBISD-UHFFFAOYSA-N
XLogP0.08
TPSA41.18 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide 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
S-[10-(4-methylquinolin-1-ium-1-yl)decyl] ethanethioate iodide
CID 71361675
2-(4-methylquinolin-1-ium-1-yl)acetic acid
CID 20566432
4-methyl-1-pentylquinolin-1-ium
CID 86110329
2-(4-methylquinolin-1-ium-1-yl)acetic acid bromide
CID 126572963
3-(4-methylquinolin-1-ium-1-yl)propan-1-amine
CID 59274376
3-(4-methylquinolin-1-ium-1-yl)-2-oxopropanoic acid
CID 118032991
2-(4-methylquinolin-1-ium-1-yl)acetamide
CID 3277124
11-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]undecanoic acid
CID 124635360
1-[8-(4-aminoquinolin-1-ium-1-yl)octyl]quinolin-1-ium-4-amine
CID 10842005
1-(4-fluorophenyl)-2-(4-methylquinolin-1-ium-1-yl)ethanone;hydrobromide
CID 126958172
1-[10-(4-aminoquinolin-1-ium-1-yl)decyl]quinolin-1-ium-4-amine;bis(2,2,2-trifluoroacetate);bis(2,2,2-trifluoroacetic acid);dihydrate
CID 173329587

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide?
The IUPAC name of 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide (CID 67262652) is 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide.
What is the SMILES notation for 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide?
The canonical SMILES for 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide is Cc1cc[n+](CCCCCC(=O)O)c2ccccc12.[I-].
What is the InChIKey of 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide?
The InChIKey is KYHDQUZUDQBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.HI/c1-13-10-12-17(11-6-2-3-9-16(18)19)15-8-5-4-7-14(13)15;/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3;1H.
What are the key properties of 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide?
6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide has a molecular weight of 385.25 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylquinolin-1-ium-1-yl)hexanoic acid iodide is sourced from PubChem (CID 67262652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).