carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline

C22H19Cl2N2Ru- — CID 23525069

IUPACcarbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline
SMILESCC=C=[Ru](Cl)Cl.[CH3-].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C3H4.CH3.2ClH.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-2;;;;/h1-12H;3H,1H3;1H3;2*1H;/q;;-1;;;+2/p-2
InChIKeyZBCRNSUCDSXDLB-UHFFFAOYSA-L
MW483.38 g/mol
LogP6.79
Rot. Bonds1

About carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline

carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline (PubChem CID 23525069) has the molecular formula C22H19Cl2N2Ru- and a molecular weight of 483.38 g/mol. Its IUPAC name is carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline.

Molecular Properties

Compound Namecarbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline
PubChem CID23525069
Molecular FormulaC22H19Cl2N2Ru-
Molecular Weight483.38 g/mol
Exact Mass483.00
IUPAC Namecarbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline
SMILESCC=C=[Ru](Cl)Cl.[CH3-].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C3H4.CH3.2ClH.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-2;;;;/h1-12H;3H,1H3;1H3;2*1H;/q;;-1;;;+2/p-2
InChIKeyZBCRNSUCDSXDLB-UHFFFAOYSA-L
XLogP6.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.38
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline?
The IUPAC name of carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline (CID 23525069) is carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline.
What is the SMILES notation for carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline?
The canonical SMILES for carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline is CC=C=[Ru](Cl)Cl.[CH3-].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline?
The InChIKey is ZBCRNSUCDSXDLB-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H12N2.C3H4.CH3.2ClH.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-2;;;;/h1-12H;3H,1H3;1H3;2*1H;/q;;-1;;;+2/p-2.
What are the key properties of carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline?
carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline has a molecular weight of 483.38 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichloro(prop-1-enylidene)ruthenium;2-quinolin-2-ylquinoline is sourced from PubChem (CID 23525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).