2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum

C22H14N4O2Pt — CID 135975679

IUPAC2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum
SMILESOc1cccc2ccn3cc(-c4cn5ccc6cccc(O)c6c5n4)nc3c12.[Pt]
InChIInChI=1S/C22H14N4O2.Pt/c27-17-5-1-3-13-7-9-25-11-15(23-21(25)19(13)17)16-12-26-10-8-14-4-2-6-18(28)20(14)22(26)24-16;/h1-12,27-28H;
InChIKeyZJIXENJFAHWCMO-UHFFFAOYSA-N
MW561.46 g/mol
LogP4.36
Rot. Bonds1

About 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum

2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum (PubChem CID 135975679) has the molecular formula C22H14N4O2Pt and a molecular weight of 561.46 g/mol. Its IUPAC name is 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum.

Molecular Properties

Compound Name2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum
PubChem CID135975679
Molecular FormulaC22H14N4O2Pt
Molecular Weight561.46 g/mol
Exact Mass561.08
IUPAC Name2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum
SMILESOc1cccc2ccn3cc(-c4cn5ccc6cccc(O)c6c5n4)nc3c12.[Pt]
InChIInChI=1S/C22H14N4O2.Pt/c27-17-5-1-3-13-7-9-25-11-15(23-21(25)19(13)17)16-12-26-10-8-14-4-2-6-18(28)20(14)22(26)24-16;/h1-12,27-28H;
InChIKeyZJIXENJFAHWCMO-UHFFFAOYSA-N
XLogP4.36
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum?
The IUPAC name of 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum (CID 135975679) is 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum.
What is the SMILES notation for 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum?
The canonical SMILES for 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum is Oc1cccc2ccn3cc(-c4cn5ccc6cccc(O)c6c5n4)nc3c12.[Pt].
What is the InChIKey of 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum?
The InChIKey is ZJIXENJFAHWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2.Pt/c27-17-5-1-3-13-7-9-25-11-15(23-21(25)19(13)17)16-12-26-10-8-14-4-2-6-18(28)20(14)22(26)24-16;/h1-12,27-28H;.
What are the key properties of 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum?
2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum has a molecular weight of 561.46 g/mol, XLogP of 4.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-hydroxyimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-10-ol;platinum is sourced from PubChem (CID 135975679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).