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

C21H16ClN3OPt — CID 21024857

IUPACchloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide
SMILESCOc1c(-c2ccccn2)[c-]c(-c2ccccn2)c2ccc(C)nc12.Cl[Pt+]
InChIInChI=1S/C21H16N3O.ClH.Pt/c1-14-9-10-15-16(18-7-3-5-11-22-18)13-17(19-8-4-6-12-23-19)21(25-2)20(15)24-14;;/h3-12H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRCVUOKMZAKHKBW-UHFFFAOYSA-M
MW556.91 g/mol
LogP5.16
Rot. Bonds3

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

chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide (PubChem CID 21024857) has the molecular formula C21H16ClN3OPt and a molecular weight of 556.91 g/mol. Its IUPAC name is chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide.

Molecular Properties

Compound Namechloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide
PubChem CID21024857
Molecular FormulaC21H16ClN3OPt
Molecular Weight556.91 g/mol
Exact Mass556.06
IUPAC Namechloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide
SMILESCOc1c(-c2ccccn2)[c-]c(-c2ccccn2)c2ccc(C)nc12.Cl[Pt+]
InChIInChI=1S/C21H16N3O.ClH.Pt/c1-14-9-10-15-16(18-7-3-5-11-22-18)13-17(19-8-4-6-12-23-19)21(25-2)20(15)24-14;;/h3-12H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRCVUOKMZAKHKBW-UHFFFAOYSA-M
XLogP5.16
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.91
LogP ≤ 55.16
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

2'-(1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole];dihydrochloride
CID 14789979
(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
1'-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 71233567
5-(4-chloro-2-pyridinyl)-1'-[[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 117913560
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
1,1,3,3-Tetramethylfuro[3,4-b][1,6]naphthyridine
CID 5222864
(2R,3S,10bR)-2,3-dipyridin-2-yl-3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinoline
CID 13586377
2-Methoxy-6-[methoxy(dipyridin-2-yl)methyl]pyridine
CID 15393299
chloroplatinum(1+);2-(2-pyridin-2-yl-3H-furan-3-id-4-yl)pyridine
CID 21024789
chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide
CID 21024870
2-[4-[(4-Butan-2-ylphenyl)methoxy]benzene-6-id-1-yl]pyridine;iridium(3+);bis(2-phenylpyridine)
CID 57599355

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
The IUPAC name of chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide (CID 21024857) is chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide.
What is the SMILES notation for chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
The canonical SMILES for chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide is COc1c(-c2ccccn2)[c-]c(-c2ccccn2)c2ccc(C)nc12.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
The InChIKey is RCVUOKMZAKHKBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16N3O.ClH.Pt/c1-14-9-10-15-16(18-7-3-5-11-22-18)13-17(19-8-4-6-12-23-19)21(25-2)20(15)24-14;;/h3-12H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide?
chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide has a molecular weight of 556.91 g/mol, XLogP of 5.16, 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-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide is sourced from PubChem (CID 21024857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).