iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide

C15H16IrN2-2 — CID 58517699

IUPACiridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILESCC(C)C1=C2C=Cc3ccc[c-]c3N2[CH-]N1C.[Ir]
InChIInChI=1S/C15H16N2.Ir/c1-11(2)15-14-9-8-12-6-4-5-7-13(12)17(14)10-16(15)3;/h4-6,8-11H,1-3H3;/q-2;
InChIKeyNCPAGMZJYNCZRS-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.25
Rot. Bonds1

About iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide

iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (PubChem CID 58517699) has the molecular formula C15H16IrN2-2 and a molecular weight of 416.52 g/mol. Its IUPAC name is iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.

Molecular Properties

Compound Nameiridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
PubChem CID58517699
Molecular FormulaC15H16IrN2-2
Molecular Weight416.52 g/mol
Exact Mass417.10
IUPAC Nameiridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
SMILESCC(C)C1=C2C=Cc3ccc[c-]c3N2[CH-]N1C.[Ir]
InChIInChI=1S/C15H16N2.Ir/c1-11(2)15-14-9-8-12-6-4-5-7-13(12)17(14)10-16(15)3;/h4-6,8-11H,1-3H3;/q-2;
InChIKeyNCPAGMZJYNCZRS-UHFFFAOYSA-N
XLogP3.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide 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

4-Fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517630
2,6-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517673
2-Ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517691
2,3-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517778
2,5-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517885
2,4-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517892
Iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58517932
2-Methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;platinum(2+)
CID 58517990
CID 58518027
CID 58518027
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58518092
3-Ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline
CID 71248614
2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole
CID 135460000

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The IUPAC name of iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide (CID 58517699) is iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide.
What is the SMILES notation for iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The canonical SMILES for iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is CC(C)C1=C2C=Cc3ccc[c-]c3N2[CH-]N1C.[Ir].
What is the InChIKey of iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
The InChIKey is NCPAGMZJYNCZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.Ir/c1-11(2)15-14-9-8-12-6-4-5-7-13(12)17(14)10-16(15)3;/h4-6,8-11H,1-3H3;/q-2;.
What are the key properties of iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide?
iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide has a molecular weight of 416.52 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-3-propan-2-yl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide is sourced from PubChem (CID 58517699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).