9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)

C24H17N5O2Pt — CID 162492159

IUPAC9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)
SMILES[C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)OCn2ccnc2-3)cc1C.[Pt+2]
InChIInChI=1S/C24H17N5O2.Pt/c1-14-8-16(10-19-18(14)4-6-29-21(25-3)12-27-24(19)29)31-17-9-15(2)22-20(11-17)23-26-5-7-28(23)13-30-22;/h5,7-9,12H,4,6,13H2,1-2H3;/q-2;+2
InChIKeyCHNXMMXIYGFJIG-UHFFFAOYSA-N
MW602.51 g/mol
LogP4.88
Rot. Bonds2

About 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)

9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+) (PubChem CID 162492159) has the molecular formula C24H17N5O2Pt and a molecular weight of 602.51 g/mol. Its IUPAC name is 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+).

Molecular Properties

Compound Name9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)
PubChem CID162492159
Molecular FormulaC24H17N5O2Pt
Molecular Weight602.51 g/mol
Exact Mass602.10
IUPAC Name9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)
SMILES[C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)OCn2ccnc2-3)cc1C.[Pt+2]
InChIInChI=1S/C24H17N5O2.Pt/c1-14-8-16(10-19-18(14)4-6-29-21(25-3)12-27-24(19)29)31-17-9-15(2)22-20(11-17)23-26-5-7-28(23)13-30-22;/h5,7-9,12H,4,6,13H2,1-2H3;/q-2;+2
InChIKeyCHNXMMXIYGFJIG-UHFFFAOYSA-N
XLogP4.88
TPSA58.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+) with MolForge

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Related Compounds

2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401401
Iridium(3+);2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole)
CID 58401633
Bis(2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661441
Tris(2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 59661504
Bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661525
Bis(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+);2-(2-methoxy-4-methylbenzene-6-id-1-yl)-1-methylimidazole
CID 59661608
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;3-methoxy-4-(1-methylimidazol-2-yl)benzene-5-ide-1-carbaldehyde;platinum(2+)
CID 59661654
platinum(2+);2,5,5-trimethyl-9-[(2-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide
CID 162492039
7-methyl-9-[(7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 162492043
3-isocyano-9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 162492048
9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492053
9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492065

Frequently Asked Questions

What is the IUPAC name of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)?
The IUPAC name of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+) (CID 162492159) is 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+).
What is the SMILES notation for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)?
The canonical SMILES for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+) is [C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)OCn2ccnc2-3)cc1C.[Pt+2].
What is the InChIKey of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)?
The InChIKey is CHNXMMXIYGFJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2.Pt/c1-14-8-16(10-19-18(14)4-6-29-21(25-3)12-27-24(19)29)31-17-9-15(2)22-20(11-17)23-26-5-7-28(23)13-30-22;/h5,7-9,12H,4,6,13H2,1-2H3;/q-2;+2.
What are the key properties of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+)?
9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+) has a molecular weight of 602.51 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-7-methyl-5,10-dihydroimidazo[1,2-c][1,3]benzoxazin-10-ide;platinum(2+) is sourced from PubChem (CID 162492159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).