2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium

C15H15N2O2Pd- — CID 163276569

IUPAC2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium
SMILESC#Cc1ccc2cc(OCCOCC[NH-])ccc2n1.[Pd]
InChIInChI=1S/C15H15N2O2.Pd/c1-2-13-4-3-12-11-14(5-6-15(12)17-13)19-10-9-18-8-7-16;/h1,3-6,11,16H,7-10H2;/q-1;
InChIKeyLFRCHBCWAPPDII-UHFFFAOYSA-N
MW361.72 g/mol
LogP2.66
Rot. Bonds6

About 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium

2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium (PubChem CID 163276569) has the molecular formula C15H15N2O2Pd- and a molecular weight of 361.72 g/mol. Its IUPAC name is 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium.

Molecular Properties

Compound Name2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium
PubChem CID163276569
Molecular FormulaC15H15N2O2Pd-
Molecular Weight361.72 g/mol
Exact Mass361.02
IUPAC Name2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium
SMILESC#Cc1ccc2cc(OCCOCC[NH-])ccc2n1.[Pd]
InChIInChI=1S/C15H15N2O2.Pd/c1-2-13-4-3-12-11-14(5-6-15(12)17-13)19-10-9-18-8-7-16;/h1,3-6,11,16H,7-10H2;/q-1;
InChIKeyLFRCHBCWAPPDII-UHFFFAOYSA-N
XLogP2.66
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium?
The IUPAC name of 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium (CID 163276569) is 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium.
What is the SMILES notation for 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium?
The canonical SMILES for 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium is C#Cc1ccc2cc(OCCOCC[NH-])ccc2n1.[Pd].
What is the InChIKey of 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium?
The InChIKey is LFRCHBCWAPPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O2.Pd/c1-2-13-4-3-12-11-14(5-6-15(12)17-13)19-10-9-18-8-7-16;/h1,3-6,11,16H,7-10H2;/q-1;.
What are the key properties of 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium?
2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium has a molecular weight of 361.72 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethynylquinolin-6-yl)oxyethoxy]ethylazanide;palladium is sourced from PubChem (CID 163276569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).