8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium

C17H24NO+ — CID 20678137

IUPAC8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium
SMILESCOc1c(C)c(C)c(C)c2c(C)c(C)c(C)[n+](C)c12
InChIInChI=1S/C17H24NO/c1-9-11(3)15-12(4)10(2)14(6)18(7)16(15)17(19-8)13(9)5/h1-8H3/q+1
InChIKeyXUZFVJVNJZNBGL-UHFFFAOYSA-N
MW258.38 g/mol
LogP3.52
Rot. Bonds1

About 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium

8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium (PubChem CID 20678137) has the molecular formula C17H24NO+ and a molecular weight of 258.38 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium.

Molecular Properties

Compound Name8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium
PubChem CID20678137
Molecular FormulaC17H24NO+
Molecular Weight258.38 g/mol
Exact Mass258.19
IUPAC Name8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium
SMILESCOc1c(C)c(C)c(C)c2c(C)c(C)c(C)[n+](C)c12
InChIInChI=1S/C17H24NO/c1-9-11(3)15-12(4)10(2)14(6)18(7)16(15)17(19-8)13(9)5/h1-8H3/q+1
InChIKeyXUZFVJVNJZNBGL-UHFFFAOYSA-N
XLogP3.52
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6,7,8,9,10-decamethylbenzo[h]quinolin-1-ium;1,2,3,4,5,6,7,8,9,10,11,12-dodecamethylphenanthro[9,10-b]pyridin-1-ium;1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridin-1-ium
CID 158050739
2-methoxy-1-(2-methoxy-3,4,5,6,7,8-hexamethylnaphthalen-1-yl)-3,4,5,6,7,8-hexamethylnaphthalene;1-methoxy-2-(2-methoxy-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 91034834
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 11822906
1,2,3,4,5,6,7-heptamethyl-8-propan-2-ylisoquinolin-2-ium;1,2,3,4,5,6,8-heptamethyl-7-propan-2-ylquinolin-1-ium;1,2,3,4,6,7,8-heptamethyl-5-propan-2-ylquinolin-1-ium;1,2,3,5,6,7,8-heptamethyl-4-propan-2-ylquinolin-1-ium;1,3,4,5,7,8-hexamethyl-6-propan-2-ylisoquinoline;methane;1,2,3,4,5-pentamethyl-6-propan-2-ylpyridin-1-ium;1,2,3,5,6-pentamethyl-4-propan-2-ylpyridin-1-ium
CID 163921401
2-methoxy-1,4,5,6,7,8-hexamethyl-3-methylsulfanylnaphthalene
CID 90264222
2-(2-methoxy-3,4,5,6-tetramethylphenyl)phenol
CID 21315494
4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657
1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene
CID 20758552
1-(methoxymethoxy)-2,3,4,5,6-pentamethylbenzene;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 91426597
2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817257

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium?
The IUPAC name of 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium (CID 20678137) is 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium.
What is the SMILES notation for 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium?
The canonical SMILES for 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium is COc1c(C)c(C)c(C)c2c(C)c(C)c(C)[n+](C)c12.
What is the InChIKey of 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium?
The InChIKey is XUZFVJVNJZNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO/c1-9-11(3)15-12(4)10(2)14(6)18(7)16(15)17(19-8)13(9)5/h1-8H3/q+1.
What are the key properties of 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium?
8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium has a molecular weight of 258.38 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4,5,6,7-heptamethylquinolin-1-ium is sourced from PubChem (CID 20678137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).