4-methoxy-1,2-dimethylquinolin-1-ium

C12H14NO+ — CID 3299774

IUPAC4-methoxy-1,2-dimethylquinolin-1-ium
SMILESCOc1cc(C)[n+](C)c2ccccc12
InChIInChI=1S/C12H14NO/c1-9-8-12(14-3)10-6-4-5-7-11(10)13(9)2/h4-8H,1-3H3/q+1
InChIKeyRYAWCTLLXAKAGY-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.98
Rot. Bonds1

About 4-methoxy-1,2-dimethylquinolin-1-ium

4-methoxy-1,2-dimethylquinolin-1-ium (PubChem CID 3299774) has the molecular formula C12H14NO+ and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-methoxy-1,2-dimethylquinolin-1-ium.

Molecular Properties

Compound Name4-methoxy-1,2-dimethylquinolin-1-ium
PubChem CID3299774
Molecular FormulaC12H14NO+
Molecular Weight188.25 g/mol
Exact Mass188.11
IUPAC Name4-methoxy-1,2-dimethylquinolin-1-ium
SMILESCOc1cc(C)[n+](C)c2ccccc12
InChIInChI=1S/C12H14NO/c1-9-8-12(14-3)10-6-4-5-7-11(10)13(9)2/h4-8H,1-3H3/q+1
InChIKeyRYAWCTLLXAKAGY-UHFFFAOYSA-N
XLogP1.98
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1,2-dimethylquinolin-1-ium iodide
CID 18006525
4-iodo-1,2-dimethylquinolin-1-ium
CID 121219161
4-methoxy-2-[10-(4-methoxy-1-methylquinolin-1-ium-2-yl)decyl]-1-methylquinolin-1-ium;1-methyl-2-[12-(1-methylquinolin-1-ium-2-yl)dodecyl]quinolin-1-ium;tetraiodide
CID 161336811
6-chloro-8,9-dimethoxy-5-methylcyclohepta[b]indol-5-ium chloride
CID 10829802
8-methoxy-5,6-dimethylphenanthridin-5-ium bromide
CID 24841243
4-chloro-1,2-dimethylquinolin-1-ium;sulfuric acid
CID 70632360
8,9-dimethoxy-5-methylphenanthridin-5-ium
CID 3301517
N-(2,4-dimethoxyphenyl)-10-methylacridin-10-ium-9-amine
CID 164609477
1-methoxy-5-methyl-[1]benzothiolo[3,2-b]quinolin-5-ium iodide
CID 53325075
1-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 53315592
2,4-diethoxy-1-methylquinolin-1-ium
CID 10158034
4-methoxy-1-oxidocinnolin-1-ium
CID 86251772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2-dimethylquinolin-1-ium?
The IUPAC name of 4-methoxy-1,2-dimethylquinolin-1-ium (CID 3299774) is 4-methoxy-1,2-dimethylquinolin-1-ium.
What is the SMILES notation for 4-methoxy-1,2-dimethylquinolin-1-ium?
The canonical SMILES for 4-methoxy-1,2-dimethylquinolin-1-ium is COc1cc(C)[n+](C)c2ccccc12.
What is the InChIKey of 4-methoxy-1,2-dimethylquinolin-1-ium?
The InChIKey is RYAWCTLLXAKAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO/c1-9-8-12(14-3)10-6-4-5-7-11(10)13(9)2/h4-8H,1-3H3/q+1.
What are the key properties of 4-methoxy-1,2-dimethylquinolin-1-ium?
4-methoxy-1,2-dimethylquinolin-1-ium has a molecular weight of 188.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2-dimethylquinolin-1-ium is sourced from PubChem (CID 3299774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).