ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)

C16H21NY+ — CID 18738660

IUPACethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)
SMILESCc1[c-]c2c(C)c(C)c(C)c(C)c2nc1.[CH2-]C.[Y+3]
InChIInChI=1S/C14H16N.C2H5.Y/c1-8-6-13-11(4)9(2)10(3)12(5)14(13)15-7-8;1-2;/h7H,1-5H3;1H2,2H3;/q2*-1;+3
InChIKeyYNGGFDVGASWPMA-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.41
Rot. Bonds

About ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)

ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+) (PubChem CID 18738660) has the molecular formula C16H21NY+ and a molecular weight of 316.26 g/mol. Its IUPAC name is ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+).

Molecular Properties

Compound Nameethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)
PubChem CID18738660
Molecular FormulaC16H21NY+
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Nameethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)
SMILESCc1[c-]c2c(C)c(C)c(C)c(C)c2nc1.[CH2-]C.[Y+3]
InChIInChI=1S/C14H16N.C2H5.Y/c1-8-6-13-11(4)9(2)10(3)12(5)14(13)15-7-8;1-2;/h7H,1-5H3;1H2,2H3;/q2*-1;+3
InChIKeyYNGGFDVGASWPMA-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)?
The IUPAC name of ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+) (CID 18738660) is ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+).
What is the SMILES notation for ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)?
The canonical SMILES for ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+) is Cc1[c-]c2c(C)c(C)c(C)c(C)c2nc1.[CH2-]C.[Y+3].
What is the InChIKey of ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)?
The InChIKey is YNGGFDVGASWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N.C2H5.Y/c1-8-6-13-11(4)9(2)10(3)12(5)14(13)15-7-8;1-2;/h7H,1-5H3;1H2,2H3;/q2*-1;+3.
What are the key properties of ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+)?
ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+) has a molecular weight of 316.26 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium(3+) is sourced from PubChem (CID 18738660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).