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

C16H21NY-2 — CID 59889957

IUPACethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium
SMILESCc1[c-]c2c(C)c(C)c(C)c(C)c2nc1.[CH2-]C.[Y]
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;
InChIKeyXTKGRDDAFODEHT-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.41
Rot. Bonds

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

ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium (PubChem CID 59889957) has the molecular formula C16H21NY-2 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.

Molecular Properties

Compound Nameethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium
PubChem CID59889957
Molecular FormulaC16H21NY-2
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Nameethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium
SMILESCc1[c-]c2c(C)c(C)c(C)c(C)c2nc1.[CH2-]C.[Y]
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;
InChIKeyXTKGRDDAFODEHT-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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Related Compounds

5-methyl-2,3-di(propan-2-yl)-4H-pyridin-4-ide;yttrium
CID 58763043
1-methyl-5H-isoquinolin-5-ide;yttrium
CID 59098083
ethane;5,6,7,8-tetramethyl-4H-quinolin-4-ide-3-carbonitrile;yttrium
CID 59889953
2-(5-Methyl-6,7-dihydronaphthalen-1-yl)-3,4-dihydropyridine
CID 70925258
1,4-Dimethyl-6,7-dihydroisoquinoline
CID 89495200
6,8-Dimethyl-2,3-dihydroquinoline
CID 90334669
5,8-Dimethyl-2,3-dihydroquinoline
CID 123611149
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,8-dimethylideneazecine
CID 129191777
(4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine
CID 134550699
1-N,2-N,5-N,6-N,3,7-hexamethylnaphthalene-1,2,5,6-tetraimine
CID 135215438
ethane;(3Z,6Z)-1-N-ethenyl-3,6-di(ethylidene)-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
CID 142074931
ethane;(3Z)-1-N-ethenyl-3-ethylidene-6-methylidene-2-N-[(Z)-prop-1-enyl]cyclohex-4-ene-1,2-diimine
CID 142165994

Frequently Asked Questions

What is the IUPAC name of ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium?
The IUPAC name of ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium (CID 59889957) is ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium.
What is the SMILES notation for ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium?
The canonical SMILES for ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium is Cc1[c-]c2c(C)c(C)c(C)c(C)c2nc1.[CH2-]C.[Y].
What is the InChIKey of ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium?
The InChIKey is XTKGRDDAFODEHT-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;.
What are the key properties of ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium?
ethane;3,5,6,7,8-pentamethyl-4H-quinolin-4-ide;yttrium 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 is sourced from PubChem (CID 59889957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).