1,2,7-trimethylquinolin-1-ium

C12H14N+ — CID 134103157

IUPAC1,2,7-trimethylquinolin-1-ium
SMILESCc1ccc2ccc(C)[n+](C)c2c1
InChIInChI=1S/C12H14N/c1-9-4-6-11-7-5-10(2)13(3)12(11)8-9/h4-8H,1-3H3/q+1
InChIKeyRLQTXVHRCRIJRJ-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.28
Rot. Bonds

About 1,2,7-trimethylquinolin-1-ium

1,2,7-trimethylquinolin-1-ium (PubChem CID 134103157) has the molecular formula C12H14N+ and a molecular weight of 172.25 g/mol. Its IUPAC name is 1,2,7-trimethylquinolin-1-ium.

Molecular Properties

Compound Name1,2,7-trimethylquinolin-1-ium
PubChem CID134103157
Molecular FormulaC12H14N+
Molecular Weight172.25 g/mol
Exact Mass172.11
IUPAC Name1,2,7-trimethylquinolin-1-ium
SMILESCc1ccc2ccc(C)[n+](C)c2c1
InChIInChI=1S/C12H14N/c1-9-4-6-11-7-5-10(2)13(3)12(11)8-9/h4-8H,1-3H3/q+1
InChIKeyRLQTXVHRCRIJRJ-UHFFFAOYSA-N
XLogP2.28
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,6,10-trimethylacridin-10-ium
CID 18342016
6-methoxy-1,2-dimethylquinolin-1-ium
CID 785074
2,6-dimethylquinoline;1,2-dimethylquinolin-1-ium;2-methylquinoline;methyl sulfate;1,2,6-trimethylquinolin-1-ium
CID 161221751
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 161299419
2,9-dimethylpentacene
CID 11460950
2,7-dimethyl-1-propylquinolin-1-ium;tetraphenylboranuide
CID 19877864
2,10-dimethylacridin-10-ium
CID 25896
2,6-dimethylnaphthalene;propane
CID 142191183
CID 88929951
CID 88929951
2,7-dimethylphenanthrene;ethane
CID 91503011
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305

Frequently Asked Questions

What is the IUPAC name of 1,2,7-trimethylquinolin-1-ium?
The IUPAC name of 1,2,7-trimethylquinolin-1-ium (CID 134103157) is 1,2,7-trimethylquinolin-1-ium.
What is the SMILES notation for 1,2,7-trimethylquinolin-1-ium?
The canonical SMILES for 1,2,7-trimethylquinolin-1-ium is Cc1ccc2ccc(C)[n+](C)c2c1.
What is the InChIKey of 1,2,7-trimethylquinolin-1-ium?
The InChIKey is RLQTXVHRCRIJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N/c1-9-4-6-11-7-5-10(2)13(3)12(11)8-9/h4-8H,1-3H3/q+1.
What are the key properties of 1,2,7-trimethylquinolin-1-ium?
1,2,7-trimethylquinolin-1-ium has a molecular weight of 172.25 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7-trimethylquinolin-1-ium is sourced from PubChem (CID 134103157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).