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

C16H18N2Y+ — CID 18738653

IUPACethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+)
SMILESCc1c(C)c(C)c2ncc(C#N)[c-]c2c1C.[CH2-]C.[Y+3]
InChIInChI=1S/C14H13N2.C2H5.Y/c1-8-9(2)11(4)14-13(10(8)3)5-12(6-15)7-16-14;1-2;/h7H,1-4H3;1H2,2H3;/q2*-1;+3
InChIKeyFFFXJERKPFLEIS-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.98
Rot. Bonds

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

ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+) (PubChem CID 18738653) has the molecular formula C16H18N2Y+ and a molecular weight of 327.24 g/mol. Its IUPAC name is ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+).

Molecular Properties

Compound Nameethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+)
PubChem CID18738653
Molecular FormulaC16H18N2Y+
Molecular Weight327.24 g/mol
Exact Mass327.05
IUPAC Nameethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+)
SMILESCc1c(C)c(C)c2ncc(C#N)[c-]c2c1C.[CH2-]C.[Y+3]
InChIInChI=1S/C14H13N2.C2H5.Y/c1-8-9(2)11(4)14-13(10(8)3)5-12(6-15)7-16-14;1-2;/h7H,1-4H3;1H2,2H3;/q2*-1;+3
InChIKeyFFFXJERKPFLEIS-UHFFFAOYSA-N
XLogP3.98
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.98
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 ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+)?
The IUPAC name of ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+) (CID 18738653) is ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+).
What is the SMILES notation for ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+)?
The canonical SMILES for ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+) is Cc1c(C)c(C)c2ncc(C#N)[c-]c2c1C.[CH2-]C.[Y+3].
What is the InChIKey of ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+)?
The InChIKey is FFFXJERKPFLEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2.C2H5.Y/c1-8-9(2)11(4)14-13(10(8)3)5-12(6-15)7-16-14;1-2;/h7H,1-4H3;1H2,2H3;/q2*-1;+3.
What are the key properties of ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+)?
ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+) has a molecular weight of 327.24 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium(3+) is sourced from PubChem (CID 18738653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).