chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide

C20H14ClN3OPt — CID 21024870

IUPACchloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide
SMILESCOc1c(-c2ccccn2)[c-]c(-c2ccccn2)c2cccnc12.Cl[Pt+]
InChIInChI=1S/C20H14N3O.ClH.Pt/c1-24-20-16(18-9-3-5-11-22-18)13-15(17-8-2-4-10-21-17)14-7-6-12-23-19(14)20;;/h2-12H,1H3;1H;/q-1;;+2/p-1
InChIKeyQOVCGCIRTUMYQQ-UHFFFAOYSA-M
MW542.88 g/mol
LogP4.85
Rot. Bonds3

About chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide

chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide (PubChem CID 21024870) has the molecular formula C20H14ClN3OPt and a molecular weight of 542.88 g/mol. Its IUPAC name is chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide.

Molecular Properties

Compound Namechloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide
PubChem CID21024870
Molecular FormulaC20H14ClN3OPt
Molecular Weight542.88 g/mol
Exact Mass542.05
IUPAC Namechloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide
SMILESCOc1c(-c2ccccn2)[c-]c(-c2ccccn2)c2cccnc12.Cl[Pt+]
InChIInChI=1S/C20H14N3O.ClH.Pt/c1-24-20-16(18-9-3-5-11-22-18)13-15(17-8-2-4-10-21-17)14-7-6-12-23-19(14)20;;/h2-12H,1H3;1H;/q-1;;+2/p-1
InChIKeyQOVCGCIRTUMYQQ-UHFFFAOYSA-M
XLogP4.85
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.88
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aS,5R,7aS)-5-(pyridin-2-ylmethoxymethyl)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461275
2-[Methoxy(dipyridin-2-yl)methyl]pyridine
CID 15393273
7-Methyl-4,6-dipyridin-2-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 101444903
(2R,3S,10bR)-2,3-dipyridin-2-yl-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinoline
CID 13586377
chloroplatinum(1+);2-(2-pyridin-2-yl-3H-furan-3-id-4-yl)pyridine
CID 21024789
chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide
CID 21024857
10H-benzo[h]quinolin-10-ide;platinum;1-pyridin-2-ylethenol
CID 58402153
bromoplatinum(1+);2-(2-pyridin-2-yl-3H-furan-3-id-4-yl)pyridine
CID 58637300
1'-Benzyl-5H-spiro[furo[3,4-b]pyridine-7,4'-piperidine]
CID 59756819
4-(pyridin-3-yl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 73334786
2-[Methoxy(dipyridin-2-yl)methyl]-3-pyridin-2-ylpyridine
CID 89573852
2-(Methoxymethyl)-3,4,5-tripyridin-2-ylpyridine
CID 90186317

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
The IUPAC name of chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide (CID 21024870) is chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide.
What is the SMILES notation for chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
The canonical SMILES for chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide is COc1c(-c2ccccn2)[c-]c(-c2ccccn2)c2cccnc12.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
The InChIKey is QOVCGCIRTUMYQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H14N3O.ClH.Pt/c1-24-20-16(18-9-3-5-11-22-18)13-15(17-8-2-4-10-21-17)14-7-6-12-23-19(14)20;;/h2-12H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide has a molecular weight of 542.88 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide is sourced from PubChem (CID 21024870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).