1-isoquinolin-1-yl-2-methylisoquinolin-2-ium

C19H15N2+ — CID 102203995

IUPAC1-isoquinolin-1-yl-2-methylisoquinolin-2-ium
SMILESC[n+]1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C19H15N2/c1-21-13-11-15-7-3-5-9-17(15)19(21)18-16-8-4-2-6-14(16)10-12-20-18/h2-13H,1H3/q+1
InChIKeyKQDXMQJCYOGRHD-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.88
Rot. Bonds1

About 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium

1-isoquinolin-1-yl-2-methylisoquinolin-2-ium (PubChem CID 102203995) has the molecular formula C19H15N2+ and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium.

Molecular Properties

Compound Name1-isoquinolin-1-yl-2-methylisoquinolin-2-ium
PubChem CID102203995
Molecular FormulaC19H15N2+
Molecular Weight271.34 g/mol
Exact Mass271.12
IUPAC Name1-isoquinolin-1-yl-2-methylisoquinolin-2-ium
SMILESC[n+]1ccc2ccccc2c1-c1nccc2ccccc12
InChIInChI=1S/C19H15N2/c1-21-13-11-15-7-3-5-9-17(15)19(21)18-16-8-4-2-6-14(16)10-12-20-18/h2-13H,1H3/q+1
InChIKeyKQDXMQJCYOGRHD-UHFFFAOYSA-N
XLogP3.88
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-1-isoquinolin-1-ylisoquinolin-2-ium bromide
CID 44888161
1-(4-ethylphenyl)isoquinoline
CID 58184660
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-(2-methoxynaphthalen-1-yl)-2-methylisoquinolin-2-ium
CID 101439644
2-methyl-1-propan-2-ylisoquinolin-2-ium iodide
CID 11151118
1-(1-methylpyrrol-2-yl)isoquinoline
CID 11769704
1-(1-methylimidazol-2-yl)isoquinoline
CID 69469686
6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine
CID 10130944
CID 145493800
CID 145493800
1-(5-bromo-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 123793734
1-(9,9-dimethylfluoren-1-yl)isoquinoline
CID 90835059
iridium;1-(1H-naphthalen-1-id-2-yl)isoquinoline
CID 59404042

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium?
The IUPAC name of 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium (CID 102203995) is 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium.
What is the SMILES notation for 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium?
The canonical SMILES for 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium is C[n+]1ccc2ccccc2c1-c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium?
The InChIKey is KQDXMQJCYOGRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2/c1-21-13-11-15-7-3-5-9-17(15)19(21)18-16-8-4-2-6-14(16)10-12-20-18/h2-13H,1H3/q+1.
What are the key properties of 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium?
1-isoquinolin-1-yl-2-methylisoquinolin-2-ium has a molecular weight of 271.34 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-2-methylisoquinolin-2-ium is sourced from PubChem (CID 102203995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).