8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate

C15H14ClNO4 — CID 23723898

IUPAC8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate
SMILESCc1cc(C)c2c(ccc3cccc[n+]32)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H14N.ClHO4/c1-11-9-12(2)15-13(10-11)6-7-14-5-3-4-8-16(14)15;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJGNYVEOCVDTUNO-UHFFFAOYSA-M
MW307.73 g/mol
LogP-1.56
Rot. Bonds

About 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate

8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate (PubChem CID 23723898) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate.

Molecular Properties

Compound Name8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate
PubChem CID23723898
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate
SMILESCc1cc(C)c2c(ccc3cccc[n+]32)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H14N.ClHO4/c1-11-9-12(2)15-13(10-11)6-7-14-5-3-4-8-16(14)15;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJGNYVEOCVDTUNO-UHFFFAOYSA-M
XLogP-1.56
TPSA96.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate?
The IUPAC name of 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate (CID 23723898) is 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate.
What is the SMILES notation for 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate?
The canonical SMILES for 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate is Cc1cc(C)c2c(ccc3cccc[n+]32)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate?
The InChIKey is JGNYVEOCVDTUNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N.ClHO4/c1-11-9-12(2)15-13(10-11)6-7-14-5-3-4-8-16(14)15;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate?
8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate has a molecular weight of 307.73 g/mol, XLogP of -1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethylbenzo[c]quinolizin-11-ium perchlorate is sourced from PubChem (CID 23723898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).