8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium

C18H20N+ — CID 91176442

IUPAC8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium
SMILESCC1=CC2=C(C[N+]3=C2C=CC2C=CC=CC23)C(C)C1
InChIInChI=1S/C18H20N/c1-12-9-13(2)16-11-19-17-6-4-3-5-14(17)7-8-18(19)15(16)10-12/h3-8,10,13-14,17H,9,11H2,1-2H3/q+1
InChIKeyXFISVRVZHKSQQW-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.42
Rot. Bonds

About 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium

8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium (PubChem CID 91176442) has the molecular formula C18H20N+ and a molecular weight of 250.37 g/mol. Its IUPAC name is 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium.

Molecular Properties

Compound Name8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium
PubChem CID91176442
Molecular FormulaC18H20N+
Molecular Weight250.37 g/mol
Exact Mass250.16
IUPAC Name8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium
SMILESCC1=CC2=C(C[N+]3=C2C=CC2C=CC=CC23)C(C)C1
InChIInChI=1S/C18H20N/c1-12-9-13(2)16-11-19-17-6-4-3-5-14(17)7-8-18(19)15(16)10-12/h3-8,10,13-14,17H,9,11H2,1-2H3/q+1
InChIKeyXFISVRVZHKSQQW-UHFFFAOYSA-N
XLogP3.42
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium?
The IUPAC name of 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium (CID 91176442) is 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium.
What is the SMILES notation for 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium?
The canonical SMILES for 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium is CC1=CC2=C(C[N+]3=C2C=CC2C=CC=CC23)C(C)C1.
What is the InChIKey of 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium?
The InChIKey is XFISVRVZHKSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N/c1-12-9-13(2)16-11-19-17-6-4-3-5-14(17)7-8-18(19)15(16)10-12/h3-8,10,13-14,17H,9,11H2,1-2H3/q+1.
What are the key properties of 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium?
8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium has a molecular weight of 250.37 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-9,10,11,12a-tetrahydro-4aH-isoindolo[2,1-a]quinolin-12-ium is sourced from PubChem (CID 91176442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).