1,2,2,4-tetramethyl-3H-quinolin-1-ium

C13H18N+ — CID 139243634

IUPAC1,2,2,4-tetramethyl-3H-quinolin-1-ium
SMILESCC1=c2ccccc2=[N+](C)C(C)(C)C1
InChIInChI=1S/C13H18N/c1-10-9-13(2,3)14(4)12-8-6-5-7-11(10)12/h5-8H,9H2,1-4H3/q+1
InChIKeyYAUJRMSVLWNLHB-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.16
Rot. Bonds

About 1,2,2,4-tetramethyl-3H-quinolin-1-ium

1,2,2,4-tetramethyl-3H-quinolin-1-ium (PubChem CID 139243634) has the molecular formula C13H18N+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-3H-quinolin-1-ium.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-3H-quinolin-1-ium
PubChem CID139243634
Molecular FormulaC13H18N+
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Name1,2,2,4-tetramethyl-3H-quinolin-1-ium
SMILESCC1=c2ccccc2=[N+](C)C(C)(C)C1
InChIInChI=1S/C13H18N/c1-10-9-13(2,3)14(4)12-8-6-5-7-11(10)12/h5-8H,9H2,1-4H3/q+1
InChIKeyYAUJRMSVLWNLHB-UHFFFAOYSA-N
XLogP1.16
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.16
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

2,2,4,6-Tetramethyl-2,3-dihydroquinoline
CID 129865021
1,2,2,3-tetramethyl-3H-quinolin-1-ium
CID 139243633
dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
CID 154707776
2,2,4-trimethyl-3H-quinoline
CID 16695418
6-Ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123781108
[4-[(2E,4E)-5-[4-(dimethylamino)-4-methylcyclohexa-1,5-dien-1-yl]penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 130240313
5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane
CID 168983862
ethane;6-methyl-4-propan-2-yl-5-[(Z)-prop-1-enyl]-2,3-dihydroquinoline
CID 168983927
1,6-Dimethyl-2,3-dihydroquinolin-1-ium
CID 10062106
1-Methyl-2,3-dihydroquinolin-1-ium
CID 10467998
(4aR)-1-methyl-2,3,4,4a-tetrahydroquinolin-1-ium
CID 122386244
3-Propyl-2,3-dihydroquinoline
CID 163828727

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-3H-quinolin-1-ium?
The IUPAC name of 1,2,2,4-tetramethyl-3H-quinolin-1-ium (CID 139243634) is 1,2,2,4-tetramethyl-3H-quinolin-1-ium.
What is the SMILES notation for 1,2,2,4-tetramethyl-3H-quinolin-1-ium?
The canonical SMILES for 1,2,2,4-tetramethyl-3H-quinolin-1-ium is CC1=c2ccccc2=[N+](C)C(C)(C)C1.
What is the InChIKey of 1,2,2,4-tetramethyl-3H-quinolin-1-ium?
The InChIKey is YAUJRMSVLWNLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N/c1-10-9-13(2,3)14(4)12-8-6-5-7-11(10)12/h5-8H,9H2,1-4H3/q+1.
What are the key properties of 1,2,2,4-tetramethyl-3H-quinolin-1-ium?
1,2,2,4-tetramethyl-3H-quinolin-1-ium has a molecular weight of 188.29 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-3H-quinolin-1-ium is sourced from PubChem (CID 139243634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).