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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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).