3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium

C23H24N+ — CID 170222557

IUPAC3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
SMILESCc1cc(C)c2c(c1)-c1c3ccc(C4CCCC4)cc3cc[n+]1C2
InChIInChI=1S/C23H24N/c1-15-11-16(2)22-14-24-10-9-19-13-18(17-5-3-4-6-17)7-8-20(19)23(24)21(22)12-15/h7-13,17H,3-6,14H2,1-2H3/q+1
InChIKeyUEZIUKMOEZXYNC-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.43
Rot. Bonds1

About 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium

3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium (PubChem CID 170222557) has the molecular formula C23H24N+ and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium.

Molecular Properties

Compound Name3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
PubChem CID170222557
Molecular FormulaC23H24N+
Molecular Weight314.45 g/mol
Exact Mass314.19
IUPAC Name3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium
SMILESCc1cc(C)c2c(c1)-c1c3ccc(C4CCCC4)cc3cc[n+]1C2
InChIInChI=1S/C23H24N/c1-15-11-16(2)22-14-24-10-9-19-13-18(17-5-3-4-6-17)7-8-20(19)23(24)21(22)12-15/h7-13,17H,3-6,14H2,1-2H3/q+1
InChIKeyUEZIUKMOEZXYNC-UHFFFAOYSA-N
XLogP5.43
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.43
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
The IUPAC name of 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium (CID 170222557) is 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium.
What is the SMILES notation for 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
The canonical SMILES for 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium is Cc1cc(C)c2c(c1)-c1c3ccc(C4CCCC4)cc3cc[n+]1C2.
What is the InChIKey of 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
The InChIKey is UEZIUKMOEZXYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N/c1-15-11-16(2)22-14-24-10-9-19-13-18(17-5-3-4-6-17)7-8-20(19)23(24)21(22)12-15/h7-13,17H,3-6,14H2,1-2H3/q+1.
What are the key properties of 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium?
3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium has a molecular weight of 314.45 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-9,11-dimethyl-8H-isoindolo[1,2-a]isoquinolin-7-ium is sourced from PubChem (CID 170222557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).