1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium

C13H18NOY- — CID 59233349

IUPAC1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium
SMILESCC1c2c[c-]ccc2N(C)C(C)(C)C1O.[Y]
InChIInChI=1S/C13H18NO.Y/c1-9-10-7-5-6-8-11(10)14(4)13(2,3)12(9)15;/h6-9,12,15H,1-4H3;/q-1;
InChIKeyPTFSTEUXLGUEFP-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.18
Rot. Bonds

About 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium

1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium (PubChem CID 59233349) has the molecular formula C13H18NOY- and a molecular weight of 293.20 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium
PubChem CID59233349
Molecular FormulaC13H18NOY-
Molecular Weight293.20 g/mol
Exact Mass293.05
IUPAC Name1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium
SMILESCC1c2c[c-]ccc2N(C)C(C)(C)C1O.[Y]
InChIInChI=1S/C13H18NO.Y/c1-9-10-7-5-6-8-11(10)14(4)13(2,3)12(9)15;/h6-9,12,15H,1-4H3;/q-1;
InChIKeyPTFSTEUXLGUEFP-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-Trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium
CID 59233307
1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol
CID 70637382
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol
CID 152751339
1,2,3-trimethyl-3,4,4a,5-tetrahydro-1H-isoquinolin-4-ol
CID 160650960

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium?
The IUPAC name of 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium (CID 59233349) is 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium.
What is the SMILES notation for 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium?
The canonical SMILES for 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium is CC1c2c[c-]ccc2N(C)C(C)(C)C1O.[Y].
What is the InChIKey of 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium?
The InChIKey is PTFSTEUXLGUEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO.Y/c1-9-10-7-5-6-8-11(10)14(4)13(2,3)12(9)15;/h6-9,12,15H,1-4H3;/q-1;.
What are the key properties of 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium?
1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium has a molecular weight of 293.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-4,6-dihydro-3H-quinolin-6-id-3-ol;yttrium is sourced from PubChem (CID 59233349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).