2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium

C12H16NOY- — CID 59233307

IUPAC2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium
SMILESCC1c2c[c-]ccc2NC(C)(C)C1O.[Y]
InChIInChI=1S/C12H16NO.Y/c1-8-9-6-4-5-7-10(9)13-12(2,3)11(8)14;/h5-8,11,13-14H,1-3H3;/q-1;
InChIKeyBAOGEVVPZPSBIB-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.15
Rot. Bonds

About 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium

2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium (PubChem CID 59233307) has the molecular formula C12H16NOY- and a molecular weight of 279.17 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium.

Molecular Properties

Compound Name2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium
PubChem CID59233307
Molecular FormulaC12H16NOY-
Molecular Weight279.17 g/mol
Exact Mass279.03
IUPAC Name2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium
SMILESCC1c2c[c-]ccc2NC(C)(C)C1O.[Y]
InChIInChI=1S/C12H16NO.Y/c1-8-9-6-4-5-7-10(9)13-12(2,3)11(8)14;/h5-8,11,13-14H,1-3H3;/q-1;
InChIKeyBAOGEVVPZPSBIB-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-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

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium?
The IUPAC name of 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium (CID 59233307) is 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium.
What is the SMILES notation for 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium?
The canonical SMILES for 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium is CC1c2c[c-]ccc2NC(C)(C)C1O.[Y].
What is the InChIKey of 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium?
The InChIKey is BAOGEVVPZPSBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO.Y/c1-8-9-6-4-5-7-10(9)13-12(2,3)11(8)14;/h5-8,11,13-14H,1-3H3;/q-1;.
What are the key properties of 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium?
2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium has a molecular weight of 279.17 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,3,4,6-tetrahydroquinolin-6-id-3-ol;yttrium is sourced from PubChem (CID 59233307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).