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

C13H18N+ — CID 139243633

IUPAC1,2,2,3-tetramethyl-3H-quinolin-1-ium
SMILESCC1C=c2ccccc2=[N+](C)C1(C)C
InChIInChI=1S/C13H18N/c1-10-9-11-7-5-6-8-12(11)14(4)13(10,2)3/h5-10H,1-4H3/q+1
InChIKeyKGLRSIWDQFPWKI-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.02
Rot. Bonds

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

1,2,2,3-tetramethyl-3H-quinolin-1-ium (PubChem CID 139243633) has the molecular formula C13H18N+ and a molecular weight of 188.29 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-3H-quinolin-1-ium.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-3H-quinolin-1-ium
PubChem CID139243633
Molecular FormulaC13H18N+
Molecular Weight188.29 g/mol
Exact Mass188.14
IUPAC Name1,2,2,3-tetramethyl-3H-quinolin-1-ium
SMILESCC1C=c2ccccc2=[N+](C)C1(C)C
InChIInChI=1S/C13H18N/c1-10-9-11-7-5-6-8-12(11)14(4)13(10,2)3/h5-10H,1-4H3/q+1
InChIKeyKGLRSIWDQFPWKI-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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

10-Methyl-4a,9a-dihydroacridin-10-ium
CID 135024985
1,2,2,4-tetramethyl-3H-quinolin-1-ium
CID 139243634
N-methyl-1-(4-propan-2-ylbenzene-6-id-1-yl)ethanimine;tris(yttrium)
CID 59323594
7-Propan-2-yl-2,3-dihydroquinoline
CID 89263434
1,2-Dimethyl-2,3-dihydroquinolin-1-ium
CID 89324226
[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
2,2-dimethyl-3H-quinoline
CID 146757978
(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 166106752
ethane;(6E)-N-methyl-6-(3-methylbutan-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 166147130
3-Propan-2-yl-2,3-dihydroquinoline
CID 166788784
(2Z)-1-cyclohexa-1,5-dien-1-yl-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
CID 169868669
ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium
CID 171089882

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-3H-quinolin-1-ium?
The IUPAC name of 1,2,2,3-tetramethyl-3H-quinolin-1-ium (CID 139243633) is 1,2,2,3-tetramethyl-3H-quinolin-1-ium.
What is the SMILES notation for 1,2,2,3-tetramethyl-3H-quinolin-1-ium?
The canonical SMILES for 1,2,2,3-tetramethyl-3H-quinolin-1-ium is CC1C=c2ccccc2=[N+](C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-3H-quinolin-1-ium?
The InChIKey is KGLRSIWDQFPWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N/c1-10-9-11-7-5-6-8-12(11)14(4)13(10,2)3/h5-10H,1-4H3/q+1.
What are the key properties of 1,2,2,3-tetramethyl-3H-quinolin-1-ium?
1,2,2,3-tetramethyl-3H-quinolin-1-ium has a molecular weight of 188.29 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-3H-quinolin-1-ium is sourced from PubChem (CID 139243633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).