7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)

C32H40N2W2Y2-2 — CID 160755857

IUPAC7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)
SMILES[CH2-]CC.[CH2-]CC.[CH2-]Cc1c(C)ccc2c(C)c[c-]nc12.[CH2-]Cc1cc2n[c-]cc(C)c2cc1C.[W+2].[W+2].[Y].[Y]
InChIInChI=1S/2C13H13N.2C3H7.2W.2Y/c1-4-11-8-13-12(7-10(11)3)9(2)5-6-14-13;1-4-11-9(2)5-6-12-10(3)7-8-14-13(11)12;2*1-3-2;;;;/h5,7-8H,1,4H2,2-3H3;5-7H,1,4H2,2-3H3;2*1,3H2,2H3;;;;/q2*-2;2*-1;2*+2;;
InChIKeyRQRXNJMSHOGQBN-UHFFFAOYSA-N
MW998.18 g/mol
LogP8.51
Rot. Bonds2

About 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)

7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium) (PubChem CID 160755857) has the molecular formula C32H40N2W2Y2-2 and a molecular weight of 998.18 g/mol. Its IUPAC name is 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium).

Molecular Properties

Compound Name7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)
PubChem CID160755857
Molecular FormulaC32H40N2W2Y2-2
Molecular Weight998.18 g/mol
Exact Mass998.03
IUPAC Name7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)
SMILES[CH2-]CC.[CH2-]CC.[CH2-]Cc1c(C)ccc2c(C)c[c-]nc12.[CH2-]Cc1cc2n[c-]cc(C)c2cc1C.[W+2].[W+2].[Y].[Y]
InChIInChI=1S/2C13H13N.2C3H7.2W.2Y/c1-4-11-8-13-12(7-10(11)3)9(2)5-6-14-13;1-4-11-9(2)5-6-12-10(3)7-8-14-13(11)12;2*1-3-2;;;;/h5,7-8H,1,4H2,2-3H3;5-7H,1,4H2,2-3H3;2*1,3H2,2H3;;;;/q2*-2;2*-1;2*+2;;
InChIKeyRQRXNJMSHOGQBN-UHFFFAOYSA-N
XLogP8.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.18
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium) with MolForge

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Related Compounds

19,26-Diazadodecacyclo[38.2.2.22,5.26,9.210,13.214,17.218,21.224,27.228,31.232,35.236,39.020,25]dohexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-hentriacontaene
CID 138979324

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)?
The IUPAC name of 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium) (CID 160755857) is 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium).
What is the SMILES notation for 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)?
The canonical SMILES for 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium) is [CH2-]CC.[CH2-]CC.[CH2-]Cc1c(C)ccc2c(C)c[c-]nc12.[CH2-]Cc1cc2n[c-]cc(C)c2cc1C.[W+2].[W+2].[Y].[Y].
What is the InChIKey of 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)?
The InChIKey is RQRXNJMSHOGQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13N.2C3H7.2W.2Y/c1-4-11-8-13-12(7-10(11)3)9(2)5-6-14-13;1-4-11-9(2)5-6-12-10(3)7-8-14-13(11)12;2*1-3-2;;;;/h5,7-8H,1,4H2,2-3H3;5-7H,1,4H2,2-3H3;2*1,3H2,2H3;;;;/q2*-2;2*-1;2*+2;;.
What are the key properties of 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium)?
7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium) has a molecular weight of 998.18 g/mol, XLogP of 8.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4,6-dimethyl-2H-quinolin-2-ide;8-ethyl-4,7-dimethyl-2H-quinolin-2-ide;propane;bis(tungsten(2+));bis(yttrium) is sourced from PubChem (CID 160755857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).