10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium

C24H33FN+ — CID 123226875

IUPAC10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium
SMILESCCCCc1ccc2c(c1)-c1ccc(F)c[n+]1C(CC)(CC)C2(C)CC
InChIInChI=1S/C24H33FN/c1-6-10-11-18-12-14-21-20(16-18)22-15-13-19(25)17-26(22)24(8-3,9-4)23(21,5)7-2/h12-17H,6-11H2,1-5H3/q+1
InChIKeyRYPXCAGKSFYBKK-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.32
Rot. Bonds6

About 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium

10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium (PubChem CID 123226875) has the molecular formula C24H33FN+ and a molecular weight of 354.53 g/mol. Its IUPAC name is 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium
PubChem CID123226875
Molecular FormulaC24H33FN+
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium
SMILESCCCCc1ccc2c(c1)-c1ccc(F)c[n+]1C(CC)(CC)C2(C)CC
InChIInChI=1S/C24H33FN/c1-6-10-11-18-12-14-21-20(16-18)22-15-13-19(25)17-26(22)24(8-3,9-4)23(21,5)7-2/h12-17H,6-11H2,1-5H3/q+1
InChIKeyRYPXCAGKSFYBKK-UHFFFAOYSA-N
XLogP6.32
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.32
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

6,6,7-triethyl-7-methyl-10-(2-methyl-5-pentylphenyl)benzo[a]quinolizin-5-ium
CID 123365931
10-(2-butylcarbazol-9-yl)-6,6,7-triethyl-7-methylbenzo[a]quinolizin-5-ium
CID 123842391
6,7-diethyl-7-methyl-10-(2-methyl-5-pentylphenyl)-6-propylbenzo[a]quinolizin-5-ium
CID 123682053
6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
CID 123834920
6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene
CID 91539590
10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium
CID 123733438
2-butyl-6,6,7-triethyl-7,12,12-trimethylindeno[2,1-a]quinolizin-5-ium
CID 123514326
6-[2-[9-(1-benzothiophen-3-yl)-6H-pyrido[2,1-a]isoindol-5-ium-6-yl]ethyl]-10-butyl-6,7-diethyl-7-methylbenzo[a]quinolizin-5-ium
CID 123372235
2-butyl-6,6-diethyl-3'-phenylspiro[benzo[a]quinolizin-5-ium-7,6'-pyrido[2,1-a]isoindol-5-ium]
CID 156646962
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
10-butyl-3,6,7-triethyl-6-methyl-7-[(3-phenylbenzo[a]quinolizin-5-ium-7-yl)methyl]benzo[a]quinolizin-5-ium
CID 123820149
10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium
CID 91804385

Frequently Asked Questions

What is the IUPAC name of 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium?
The IUPAC name of 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium (CID 123226875) is 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium.
What is the SMILES notation for 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium?
The canonical SMILES for 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium is CCCCc1ccc2c(c1)-c1ccc(F)c[n+]1C(CC)(CC)C2(C)CC.
What is the InChIKey of 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium?
The InChIKey is RYPXCAGKSFYBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN/c1-6-10-11-18-12-14-21-20(16-18)22-15-13-19(25)17-26(22)24(8-3,9-4)23(21,5)7-2/h12-17H,6-11H2,1-5H3/q+1.
What are the key properties of 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium?
10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium has a molecular weight of 354.53 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium is sourced from PubChem (CID 123226875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).