2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium

C12H16NY- — CID 58206237

IUPAC2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium
SMILESCc1[c-]cc2c(c1)CC(C)C(C)N2.[Y]
InChIInChI=1S/C12H16N.Y/c1-8-4-5-12-11(6-8)7-9(2)10(3)13-12;/h5-6,9-10,13H,7H2,1-3H3;/q-1;
InChIKeyQWLIUBRFGDNQFH-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.79
Rot. Bonds

About 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium

2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium (PubChem CID 58206237) has the molecular formula C12H16NY- and a molecular weight of 263.17 g/mol. Its IUPAC name is 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium.

Molecular Properties

Compound Name2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium
PubChem CID58206237
Molecular FormulaC12H16NY-
Molecular Weight263.17 g/mol
Exact Mass263.03
IUPAC Name2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium
SMILESCc1[c-]cc2c(c1)CC(C)C(C)N2.[Y]
InChIInChI=1S/C12H16N.Y/c1-8-4-5-12-11(6-8)7-9(2)10(3)13-12;/h5-6,9-10,13H,7H2,1-3H3;/q-1;
InChIKeyQWLIUBRFGDNQFH-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium?
The IUPAC name of 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium (CID 58206237) is 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium.
What is the SMILES notation for 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium?
The canonical SMILES for 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium is Cc1[c-]cc2c(c1)CC(C)C(C)N2.[Y].
What is the InChIKey of 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium?
The InChIKey is QWLIUBRFGDNQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N.Y/c1-8-4-5-12-11(6-8)7-9(2)10(3)13-12;/h5-6,9-10,13H,7H2,1-3H3;/q-1;.
What are the key properties of 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium?
2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium has a molecular weight of 263.17 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-2,3,4,7-tetrahydro-1H-quinolin-7-ide;yttrium is sourced from PubChem (CID 58206237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).