4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium

C16H18N+ — CID 143953901

IUPAC4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium
SMILESCc1cccc2[n+]1C(C)C(C)c1ccccc1-2
InChIInChI=1S/C16H18N/c1-11-7-6-10-16-15-9-5-4-8-14(15)12(2)13(3)17(11)16/h4-10,12-13H,1-3H3/q+1
InChIKeyGVBYYJVXJJSCNZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP3.63
Rot. Bonds

About 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium

4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium (PubChem CID 143953901) has the molecular formula C16H18N+ and a molecular weight of 224.33 g/mol. Its IUPAC name is 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium
PubChem CID143953901
Molecular FormulaC16H18N+
Molecular Weight224.33 g/mol
Exact Mass224.14
IUPAC Name4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium
SMILESCc1cccc2[n+]1C(C)C(C)c1ccccc1-2
InChIInChI=1S/C16H18N/c1-11-7-6-10-16-15-9-5-4-8-14(15)12(2)13(3)17(11)16/h4-10,12-13H,1-3H3/q+1
InChIKeyGVBYYJVXJJSCNZ-UHFFFAOYSA-N
XLogP3.63
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 53.63
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

4-methyl-6-(4-methyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 91801370
(1S)-2,19-diazoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 58321386
3,6-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 59725414
4-(2-methylbutan-2-yl)-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 168752236
(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
CID 174293968
1-[(9R,10S)-10-methyl-9,10-dihydrophenanthren-9-yl]pyridin-1-ium
CID 59904303
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
CID 123539501
ethane;2,26,27-triazoniaoctacyclo[12.12.12.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaene
CID 177317757
5,6-dimethyl-1-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium
CID 146740117
15-methyl-3-methylidene-14-phenyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(11),5,7,9,12,14-hexaene
CID 146709195
14-(2,4,6-trimethylphenyl)-27,28-diazonia-14-boraheptacyclo[13.11.1.12,9.03,8.019,27.020,25.013,28]octacosa-3,5,7,9,11,13(28),15(27),16,18,20,22,24-dodecaene
CID 172603767

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium?
The IUPAC name of 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium (CID 143953901) is 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium.
What is the SMILES notation for 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium?
The canonical SMILES for 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium is Cc1cccc2[n+]1C(C)C(C)c1ccccc1-2.
What is the InChIKey of 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium?
The InChIKey is GVBYYJVXJJSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N/c1-11-7-6-10-16-15-9-5-4-8-14(15)12(2)13(3)17(11)16/h4-10,12-13H,1-3H3/q+1.
What are the key properties of 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium?
4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium has a molecular weight of 224.33 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-6,7-dihydrobenzo[a]quinolizin-5-ium is sourced from PubChem (CID 143953901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).