1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium

C14H20NY- — CID 59233340

IUPAC1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium
SMILESCC1c2c[c-]ccc2N(C)C(C)(C)C1C.[Y]
InChIInChI=1S/C14H20N.Y/c1-10-11(2)14(3,4)15(5)13-9-7-6-8-12(10)13;/h7-11H,1-5H3;/q-1;
InChIKeyMLVALECBDPAZRA-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.45
Rot. Bonds

About 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium

1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium (PubChem CID 59233340) has the molecular formula C14H20NY- and a molecular weight of 291.23 g/mol. Its IUPAC name is 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium.

Molecular Properties

Compound Name1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium
PubChem CID59233340
Molecular FormulaC14H20NY-
Molecular Weight291.23 g/mol
Exact Mass291.07
IUPAC Name1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium
SMILESCC1c2c[c-]ccc2N(C)C(C)(C)C1C.[Y]
InChIInChI=1S/C14H20N.Y/c1-10-11(2)14(3,4)15(5)13-9-7-6-8-12(10)13;/h7-11H,1-5H3;/q-1;
InChIKeyMLVALECBDPAZRA-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.45
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 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium?
The IUPAC name of 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium (CID 59233340) is 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium.
What is the SMILES notation for 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium?
The canonical SMILES for 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium is CC1c2c[c-]ccc2N(C)C(C)(C)C1C.[Y].
What is the InChIKey of 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium?
The InChIKey is MLVALECBDPAZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N.Y/c1-10-11(2)14(3,4)15(5)13-9-7-6-8-12(10)13;/h7-11H,1-5H3;/q-1;.
What are the key properties of 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium?
1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium has a molecular weight of 291.23 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4-pentamethyl-4,6-dihydro-3H-quinolin-6-ide;yttrium is sourced from PubChem (CID 59233340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).