6-methoxy-1,2-dimethylquinolin-1-ium

C12H14NO+ — CID 785074

IUPAC6-methoxy-1,2-dimethylquinolin-1-ium
SMILESCOc1ccc2c(ccc(C)[n+]2C)c1
InChIInChI=1S/C12H14NO/c1-9-4-5-10-8-11(14-3)6-7-12(10)13(9)2/h4-8H,1-3H3/q+1
InChIKeyBLOHOEWVYJICHA-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.98
Rot. Bonds1

About 6-methoxy-1,2-dimethylquinolin-1-ium

6-methoxy-1,2-dimethylquinolin-1-ium (PubChem CID 785074) has the molecular formula C12H14NO+ and a molecular weight of 188.25 g/mol. Its IUPAC name is 6-methoxy-1,2-dimethylquinolin-1-ium.

Molecular Properties

Compound Name6-methoxy-1,2-dimethylquinolin-1-ium
PubChem CID785074
Molecular FormulaC12H14NO+
Molecular Weight188.25 g/mol
Exact Mass188.11
IUPAC Name6-methoxy-1,2-dimethylquinolin-1-ium
SMILESCOc1ccc2c(ccc(C)[n+]2C)c1
InChIInChI=1S/C12H14NO/c1-9-4-5-10-8-11(14-3)6-7-12(10)13(9)2/h4-8H,1-3H3/q+1
InChIKeyBLOHOEWVYJICHA-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

6-chloro-1,2-dimethylquinolin-1-ium;4-methoxybenzenesulfonate
CID 177370437
4-[2-(6-methoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 74830862
6-ethoxy-2-[2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium
CID 4155025
1-ethyl-2-iodo-6-methoxyquinolin-1-ium
CID 3098808
1,2,7-trimethylquinolin-1-ium
CID 134103157
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
6-methoxy-1-oxidoquinolin-1-ium;dihydrate
CID 2724229
6-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium iodide
CID 15374646
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium
CID 154594189
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
5-methoxy-1,2-dimethylpyridin-1-ium
CID 100989788

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2-dimethylquinolin-1-ium?
The IUPAC name of 6-methoxy-1,2-dimethylquinolin-1-ium (CID 785074) is 6-methoxy-1,2-dimethylquinolin-1-ium.
What is the SMILES notation for 6-methoxy-1,2-dimethylquinolin-1-ium?
The canonical SMILES for 6-methoxy-1,2-dimethylquinolin-1-ium is COc1ccc2c(ccc(C)[n+]2C)c1.
What is the InChIKey of 6-methoxy-1,2-dimethylquinolin-1-ium?
The InChIKey is BLOHOEWVYJICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO/c1-9-4-5-10-8-11(14-3)6-7-12(10)13(9)2/h4-8H,1-3H3/q+1.
What are the key properties of 6-methoxy-1,2-dimethylquinolin-1-ium?
6-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 6-methoxy-1,2-dimethylquinolin-1-ium is sourced from PubChem (CID 785074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).