1,6-dimethyl-2,3-dihydroquinolin-1-ium

C11H14N+ — CID 10062106

IUPAC1,6-dimethyl-2,3-dihydroquinolin-1-ium
SMILESCc1ccc2c(c1)=CCC[N+]=2C
InChIInChI=1S/C11H14N/c1-9-5-6-11-10(8-9)4-3-7-12(11)2/h4-6,8H,3,7H2,1-2H3/q+1
InChIKeyXOOWKDLEDJSLSW-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.30
Rot. Bonds

About 1,6-dimethyl-2,3-dihydroquinolin-1-ium

1,6-dimethyl-2,3-dihydroquinolin-1-ium (PubChem CID 10062106) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-dihydroquinolin-1-ium.

Molecular Properties

Compound Name1,6-dimethyl-2,3-dihydroquinolin-1-ium
PubChem CID10062106
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Name1,6-dimethyl-2,3-dihydroquinolin-1-ium
SMILESCc1ccc2c(c1)=CCC[N+]=2C
InChIInChI=1S/C11H14N/c1-9-5-6-11-10(8-9)4-3-7-12(11)2/h4-6,8H,3,7H2,1-2H3/q+1
InChIKeyXOOWKDLEDJSLSW-UHFFFAOYSA-N
XLogP0.30
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.30
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

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
3h-Quinoline
CID 22027752
4-Methyl-2,3-dihydroquinoline
CID 68274032
3-Methylquinazoline
CID 68345740
2,3,3-Trimethylquinoline
CID 141733304
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894
6-Fluoro-2,6-dihydroquinoline
CID 173531805
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
1-Methylpyrroloquinoline
CID 129800346
10-Methyl-4a,9a-dihydroacridin-10-ium
CID 135024985

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-dihydroquinolin-1-ium?
The IUPAC name of 1,6-dimethyl-2,3-dihydroquinolin-1-ium (CID 10062106) is 1,6-dimethyl-2,3-dihydroquinolin-1-ium.
What is the SMILES notation for 1,6-dimethyl-2,3-dihydroquinolin-1-ium?
The canonical SMILES for 1,6-dimethyl-2,3-dihydroquinolin-1-ium is Cc1ccc2c(c1)=CCC[N+]=2C.
What is the InChIKey of 1,6-dimethyl-2,3-dihydroquinolin-1-ium?
The InChIKey is XOOWKDLEDJSLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-9-5-6-11-10(8-9)4-3-7-12(11)2/h4-6,8H,3,7H2,1-2H3/q+1.
What are the key properties of 1,6-dimethyl-2,3-dihydroquinolin-1-ium?
1,6-dimethyl-2,3-dihydroquinolin-1-ium has a molecular weight of 160.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-dihydroquinolin-1-ium is sourced from PubChem (CID 10062106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).