3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium

C14H16NY- — CID 59657279

IUPAC3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium
SMILESCc1c[c-]c2ncc(C(C)(C)C)cc2c1.[Y]
InChIInChI=1S/C14H16N.Y/c1-10-5-6-13-11(7-10)8-12(9-15-13)14(2,3)4;/h5,7-9H,1-4H3;/q-1;
InChIKeyDETDWTVICWSIAR-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.64
Rot. Bonds

About 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium

3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium (PubChem CID 59657279) has the molecular formula C14H16NY- and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium
PubChem CID59657279
Molecular FormulaC14H16NY-
Molecular Weight287.20 g/mol
Exact Mass287.03
IUPAC Name3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium
SMILESCc1c[c-]c2ncc(C(C)(C)C)cc2c1.[Y]
InChIInChI=1S/C14H16N.Y/c1-10-5-6-13-11(7-10)8-12(9-15-13)14(2,3)4;/h5,7-9H,1-4H3;/q-1;
InChIKeyDETDWTVICWSIAR-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.64
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

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CID 56974537
2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine
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8-chloro-3,6-dimethylquinoline;ethane
CID 169233999
5-tert-butyl-2-methyl-3-propan-2-ylpyridine
CID 58861335
1,3-ditert-butylbenzene-5-ide;yttrium
CID 156851219
3,6,8-trimethylquinoline
CID 15109946
2,5-dimethyl-3H-pyridin-3-ide;methane;2,4,5-trimethylpyridine;yttrium
CID 157221167
N-tert-butyl-6-chloro-3-methyl-1,7-naphthyridin-8-amine
CID 165046300
2,7-ditert-butyl-1,5-naphthyridine
CID 171466000
1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
CID 159784844
2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
CID 161399944
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium?
The IUPAC name of 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium (CID 59657279) is 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium.
What is the SMILES notation for 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium?
The canonical SMILES for 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium is Cc1c[c-]c2ncc(C(C)(C)C)cc2c1.[Y].
What is the InChIKey of 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium?
The InChIKey is DETDWTVICWSIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N.Y/c1-10-5-6-13-11(7-10)8-12(9-15-13)14(2,3)4;/h5,7-9H,1-4H3;/q-1;.
What are the key properties of 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium?
3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium has a molecular weight of 287.20 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-8H-quinolin-8-ide;yttrium is sourced from PubChem (CID 59657279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).