6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium

C19H23FN+ — CID 123834920

IUPAC6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
SMILESCCC1(C)c2ccc(F)cc2-c2cccc[n+]2C1(C)CC
InChIInChI=1S/C19H23FN/c1-5-18(3)16-11-10-14(20)13-15(16)17-9-7-8-12-21(17)19(18,4)6-2/h7-13H,5-6H2,1-4H3/q+1
InChIKeyICBVISKHSZNCOS-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.59
Rot. Bonds2

About 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium

6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium (PubChem CID 123834920) has the molecular formula C19H23FN+ and a molecular weight of 284.40 g/mol. Its IUPAC name is 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
PubChem CID123834920
Molecular FormulaC19H23FN+
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
SMILESCCC1(C)c2ccc(F)cc2-c2cccc[n+]2C1(C)CC
InChIInChI=1S/C19H23FN/c1-5-18(3)16-11-10-14(20)13-15(16)17-9-7-8-12-21(17)19(18,4)6-2/h7-13H,5-6H2,1-4H3/q+1
InChIKeyICBVISKHSZNCOS-UHFFFAOYSA-N
XLogP4.59
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-6,7-dimethyl-7-propylbenzo[a]quinolizin-5-ium
CID 123837266
12,12-bis(2,2-dimethylpropyl)-6,7-diethyl-6,7-dimethylindeno[2,1-a]quinolizin-5-ium
CID 123584089
10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium
CID 123226875
6,7-diethyl-1-fluoro-6,7,9,9,12,12-hexamethyl-10,11-dihydronaphtho[2,3-a]quinolizin-5-ium
CID 123569412
6,6,7-triethyl-7-methyl-10-(2-methyl-5-pentylphenyl)benzo[a]quinolizin-5-ium
CID 123365931
11,12-diethyl-11,12-dimethyl-7-phenyl-13-azoniapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-2,4(13),5(10),6,8,14-hexaene
CID 123357911
6,7-diethyl-7-methyl-10-(2-methyl-5-pentylphenyl)-6-propylbenzo[a]quinolizin-5-ium
CID 123682053
10-(2-butylcarbazol-9-yl)-6,6,7-triethyl-7-methylbenzo[a]quinolizin-5-ium
CID 123842391
3-fluoro-9,9-dimethylfluorene
CID 130217991
7-bromo-11,12-diethyl-11,12-dimethyl-8-phenyl-13-azoniapentacyclo[14.2.2.02,15.04,13.05,10]icosa-2,4(13),5(10),6,8,14-hexaene
CID 123745859
10-[3-[3-(5-butyl-3-pyridinyl)-5-pyridin-3-ylphenyl]phenyl]-6,7-diethyl-7-methyl-6-propylbenzo[a]quinolizin-5-ium
CID 123667283
3-butyl-9,10-diethyl-14-fluoro-4,9,10,19,19-pentamethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123856737

Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium?
The IUPAC name of 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium (CID 123834920) is 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium.
What is the SMILES notation for 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium?
The canonical SMILES for 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium is CCC1(C)c2ccc(F)cc2-c2cccc[n+]2C1(C)CC.
What is the InChIKey of 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium?
The InChIKey is ICBVISKHSZNCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN/c1-5-18(3)16-11-10-14(20)13-15(16)17-9-7-8-12-21(17)19(18,4)6-2/h7-13H,5-6H2,1-4H3/q+1.
What are the key properties of 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium?
6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium has a molecular weight of 284.40 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium is sourced from PubChem (CID 123834920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).