2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium

C22H23N2+ — CID 118545985

IUPAC2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium
SMILESCCCc1ccc2c(c1-c1ccccn1)-c1cc(C)cc[n+]1CC2
InChIInChI=1S/C22H23N2/c1-3-6-17-8-9-18-11-14-24-13-10-16(2)15-20(24)22(18)21(17)19-7-4-5-12-23-19/h4-5,7-10,12-13,15H,3,6,11,14H2,1-2H3/q+1
InChIKeyQMXAWQCUGRCLFG-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.52
Rot. Bonds3

About 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium

2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium (PubChem CID 118545985) has the molecular formula C22H23N2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium
PubChem CID118545985
Molecular FormulaC22H23N2+
Molecular Weight315.44 g/mol
Exact Mass315.19
IUPAC Name2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium
SMILESCCCc1ccc2c(c1-c1ccccn1)-c1cc(C)cc[n+]1CC2
InChIInChI=1S/C22H23N2/c1-3-6-17-8-9-18-11-14-24-13-10-16(2)15-20(24)22(18)21(17)19-7-4-5-12-23-19/h4-5,7-10,12-13,15H,3,6,11,14H2,1-2H3/q+1
InChIKeyQMXAWQCUGRCLFG-UHFFFAOYSA-N
XLogP4.52
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-(4-methyl-2-pyridinyl)-5,6-dihydroisoquinolino[1,2-a]isoquinolin-7-ium
CID 144669311
5,12,13,20-tetramethyl-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene
CID 118545760
4-[(1E,3E)-4-[2-(10-ethyl-6,7-dihydrobenzo[a]quinolizin-5-ium-11-yl)-4-pyridinyl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 126607709
5,12,13-trimethyl-8,17-diazoniahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,12,17(26),18,20,22,24-undecaene diiodide
CID 139185710
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
CID 58250586
2-(2,6-dibutyl-4-chlorophenyl)pyridine
CID 160991399
propane;2-pyridin-2-ylpyridine
CID 158168510
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
2-(2,3,4-trimethoxy-5-propylphenyl)pyridine
CID 173295109
3-propyl-5-pyridin-2-yl-1,2-oxazole
CID 89181281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium?
The IUPAC name of 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium (CID 118545985) is 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium.
What is the SMILES notation for 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium?
The canonical SMILES for 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium is CCCc1ccc2c(c1-c1ccccn1)-c1cc(C)cc[n+]1CC2.
What is the InChIKey of 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium?
The InChIKey is QMXAWQCUGRCLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2/c1-3-6-17-8-9-18-11-14-24-13-10-16(2)15-20(24)22(18)21(17)19-7-4-5-12-23-19/h4-5,7-10,12-13,15H,3,6,11,14H2,1-2H3/q+1.
What are the key properties of 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium?
2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium has a molecular weight of 315.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-propyl-11-pyridin-2-yl-6,7-dihydrobenzo[a]quinolizin-5-ium is sourced from PubChem (CID 118545985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).