6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium

C20H26N+ — CID 123837266

IUPAC6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
SMILESCCCC1(C)c2ccccc2-c2cccc[n+]2C1(C)CC
InChIInChI=1S/C20H26N/c1-5-14-19(3)17-12-8-7-11-16(17)18-13-9-10-15-21(18)20(19,4)6-2/h7-13,15H,5-6,14H2,1-4H3/q+1
InChIKeyFLBPZOGURSBCQY-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.84
Rot. Bonds3

About 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium

6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium (PubChem CID 123837266) has the molecular formula C20H26N+ and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
PubChem CID123837266
Molecular FormulaC20H26N+
Molecular Weight280.44 g/mol
Exact Mass280.21
IUPAC Name6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
SMILESCCCC1(C)c2ccccc2-c2cccc[n+]2C1(C)CC
InChIInChI=1S/C20H26N/c1-5-14-19(3)17-12-8-7-11-16(17)18-13-9-10-15-21(18)20(19,4)6-2/h7-13,15H,5-6,14H2,1-4H3/q+1
InChIKeyFLBPZOGURSBCQY-UHFFFAOYSA-N
XLogP4.84
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.84
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

6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
CID 123834920
12,12-bis(2,2-dimethylpropyl)-6,7-diethyl-6,7-dimethylindeno[2,1-a]quinolizin-5-ium
CID 123584089
2,4-diethyl-3-methyl-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(15),5,7,9,11,13-hexaene
CID 123294446
(5,5-diethyl-4-methyl-4-propylthieno[2,3-a]quinolizin-6-ium-2-yl)-trimethylphosphanium
CID 123821546
8,9,14-triethyl-8,9-dimethyl-14-azoniatricyclo[8.3.1.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
CID 123387746
9-methyl-9-propylfluorene
CID 13283188
9-ethyl-9-propylfluorene
CID 123584741
6,6-diethyl-7-methyl-7H-benzo[a]quinolizin-5-ium
CID 91273331
spiro[7,20-diazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,6'-pyrido[2,1-a]isoindol-5-ium]
CID 142955188
6,6-diethyl-10'-methoxy-9'-methylspiro[benzo[a]quinolizin-5-ium-7,6'-pyrido[2,1-a]isoindol-5-ium]
CID 175628539
1-ethyl-3-phenyl-1-propylindene
CID 176714898
6,7-diethyl-7-methyl-10-(2-methyl-5-pentylphenyl)-6-propylbenzo[a]quinolizin-5-ium
CID 123682053

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium?
The IUPAC name of 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium (CID 123837266) is 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium.
What is the SMILES notation for 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium?
The canonical SMILES for 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium is CCCC1(C)c2ccccc2-c2cccc[n+]2C1(C)CC.
What is the InChIKey of 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium?
The InChIKey is FLBPZOGURSBCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N/c1-5-14-19(3)17-12-8-7-11-16(17)18-13-9-10-15-21(18)20(19,4)6-2/h7-13,15H,5-6,14H2,1-4H3/q+1.
What are the key properties of 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium?
6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium has a molecular weight of 280.44 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium is sourced from PubChem (CID 123837266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).