10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium

C24H34N+ — CID 91804385

IUPAC10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium
SMILESCCCCc1ccc2c(c1)-c1cccc(C)[n+]1C(CC)C2(CC)CC
InChIInChI=1S/C24H34N/c1-6-10-13-19-15-16-21-20(17-19)22-14-11-12-18(5)25(22)23(7-2)24(21,8-3)9-4/h11-12,14-17,23H,6-10,13H2,1-5H3/q+1
InChIKeyNFKHCYNAWOOQPJ-UHFFFAOYSA-N
MW336.54 g/mol
LogP6.31
Rot. Bonds6

About 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium

10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium (PubChem CID 91804385) has the molecular formula C24H34N+ and a molecular weight of 336.54 g/mol. Its IUPAC name is 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium
PubChem CID91804385
Molecular FormulaC24H34N+
Molecular Weight336.54 g/mol
Exact Mass336.27
IUPAC Name10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium
SMILESCCCCc1ccc2c(c1)-c1cccc(C)[n+]1C(CC)C2(CC)CC
InChIInChI=1S/C24H34N/c1-6-10-13-19-15-16-21-20(17-19)22-14-11-12-18(5)25(22)23(7-2)24(21,8-3)9-4/h11-12,14-17,23H,6-10,13H2,1-5H3/q+1
InChIKeyNFKHCYNAWOOQPJ-UHFFFAOYSA-N
XLogP6.31
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium with MolForge

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Related Compounds

10-butyl-6-ethenyl-6,7-diethyl-4,7-dimethylbenzo[a]quinolizin-5-ium
CID 123733438
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CID 91539590
2-(5-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365680
10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium
CID 123226875
6,6,7-triethyl-7-methyl-10-(2-methyl-5-pentylphenyl)benzo[a]quinolizin-5-ium
CID 123365931
6-butyl-15-[2-[2-[1-(2,6-dimethylphenyl)-3-methylimidazol-3-ium-2-yl]phenyl]ethyl]-14,14-diethyl-3-thia-16-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaene
CID 123289270
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
10-[3-[3-(4-butylphenyl)-5-phenylphenyl]phenyl]-7,7-diethyl-6H-benzo[a]quinolizin-5-ium
CID 123975519
4-butyl-2-(3-fluorophenyl)-1-phenylbenzene
CID 67893585
6,7-diethyl-7-methyl-10-(2-methyl-5-pentylphenyl)-6-propylbenzo[a]quinolizin-5-ium
CID 123682053
2-methyl-1-[5-[3-[5-(2-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium dibromide
CID 24743189
(3-butylphenyl)-dimethylphosphane
CID 59561058

Frequently Asked Questions

What is the IUPAC name of 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium?
The IUPAC name of 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium (CID 91804385) is 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium.
What is the SMILES notation for 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium?
The canonical SMILES for 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium is CCCCc1ccc2c(c1)-c1cccc(C)[n+]1C(CC)C2(CC)CC.
What is the InChIKey of 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium?
The InChIKey is NFKHCYNAWOOQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N/c1-6-10-13-19-15-16-21-20(17-19)22-14-11-12-18(5)25(22)23(7-2)24(21,8-3)9-4/h11-12,14-17,23H,6-10,13H2,1-5H3/q+1.
What are the key properties of 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium?
10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium has a molecular weight of 336.54 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium is sourced from PubChem (CID 91804385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).