8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide

C18H24BrNO3 — CID 171374528

IUPAC8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide
SMILESBr.COc1ccc2c(ccc[n+]2CCCCCCCC(=O)[O-])c1
InChIInChI=1S/C18H23NO3.BrH/c1-22-16-10-11-17-15(14-16)8-7-13-19(17)12-6-4-2-3-5-9-18(20)21;/h7-8,10-11,13-14H,2-6,9,12H2,1H3;1H
InChIKeyRSQATUGWJKUOFK-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.80
Rot. Bonds9

About 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide

8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide (PubChem CID 171374528) has the molecular formula C18H24BrNO3 and a molecular weight of 382.30 g/mol. Its IUPAC name is 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide.

Molecular Properties

Compound Name8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide
PubChem CID171374528
Molecular FormulaC18H24BrNO3
Molecular Weight382.30 g/mol
Exact Mass381.09
IUPAC Name8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide
SMILESBr.COc1ccc2c(ccc[n+]2CCCCCCCC(=O)[O-])c1
InChIInChI=1S/C18H23NO3.BrH/c1-22-16-10-11-17-15(14-16)8-7-13-19(17)12-6-4-2-3-5-9-18(20)21;/h7-8,10-11,13-14H,2-6,9,12H2,1H3;1H
InChIKeyRSQATUGWJKUOFK-UHFFFAOYSA-N
XLogP2.80
TPSA53.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide 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

6-methoxy-1-propylquinolin-1-ium
CID 782024
1-(3-methoxyphenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone
CID 3929489
1-(4-fluorophenyl)-2-(6-methoxyquinolin-1-ium-1-yl)ethanone bromide
CID 45053839
6-methoxy-1-oxidoquinolin-1-ium;dihydrate
CID 2724229
[2-[(6-methoxyquinolin-1-ium-1-yl)methyl]phenyl]boronic acid
CID 59303580
1-(3-methoxyphenyl)-2-(6-methylquinolin-1-ium-1-yl)ethanone;hydrobromide
CID 126958290
1-(11-quinolin-1-ium-1-ylundecyl)quinolin-1-ium
CID 11238482
4-quinolin-1-ium-1-ylbutyl acetate
CID 68782899
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
2-[4-[(6-methoxyquinolin-1-ium-1-yl)methyl]phenyl]benzonitrile
CID 75493303
8-pyridin-1-ium-1-yloctanoate
CID 10489175
bis(4-methoxyphenyl) octanedioate
CID 89115465

Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide?
The IUPAC name of 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide (CID 171374528) is 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide.
What is the SMILES notation for 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide?
The canonical SMILES for 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide is Br.COc1ccc2c(ccc[n+]2CCCCCCCC(=O)[O-])c1.
What is the InChIKey of 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide?
The InChIKey is RSQATUGWJKUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.BrH/c1-22-16-10-11-17-15(14-16)8-7-13-19(17)12-6-4-2-3-5-9-18(20)21;/h7-8,10-11,13-14H,2-6,9,12H2,1H3;1H.
What are the key properties of 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide?
8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide has a molecular weight of 382.30 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxyquinolin-1-ium-1-yl)octanoate;hydrobromide is sourced from PubChem (CID 171374528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).