2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane

C21H32N2S — CID 145091245

IUPAC2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane
SMILESCCCCCCCC.CN1CCCc2cc(-c3nccs3)ccc21
InChIInChI=1S/C13H14N2S.C8H18/c1-15-7-2-3-10-9-11(4-5-12(10)15)13-14-6-8-16-13;1-3-5-7-8-6-4-2/h4-6,8-9H,2-3,7H2,1H3;3-8H2,1-2H3
InChIKeyQBEPCYBAPMJYKZ-UHFFFAOYSA-N
MW344.57 g/mol
LogP6.56
Rot. Bonds6

About 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane

2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane (PubChem CID 145091245) has the molecular formula C21H32N2S and a molecular weight of 344.57 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane
PubChem CID145091245
Molecular FormulaC21H32N2S
Molecular Weight344.57 g/mol
Exact Mass344.23
IUPAC Name2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane
SMILESCCCCCCCC.CN1CCCc2cc(-c3nccs3)ccc21
InChIInChI=1S/C13H14N2S.C8H18/c1-15-7-2-3-10-9-11(4-5-12(10)15)13-14-6-8-16-13;1-3-5-7-8-6-4-2/h4-6,8-9H,2-3,7H2,1H3;3-8H2,1-2H3
InChIKeyQBEPCYBAPMJYKZ-UHFFFAOYSA-N
XLogP6.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane with MolForge

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Related Compounds

hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
CID 145105898
heptane;6-(6-methoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 145090879
4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;pentane
CID 145092401
N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096142
5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115422452
N-octyl-4-(1,3-thiazol-2-yl)aniline
CID 63448826
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485892
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carbaldehyde
CID 55035253

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane?
The IUPAC name of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane (CID 145091245) is 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane.
What is the SMILES notation for 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane?
The canonical SMILES for 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane is CCCCCCCC.CN1CCCc2cc(-c3nccs3)ccc21.
What is the InChIKey of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane?
The InChIKey is QBEPCYBAPMJYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S.C8H18/c1-15-7-2-3-10-9-11(4-5-12(10)15)13-14-6-8-16-13;1-3-5-7-8-6-4-2/h4-6,8-9H,2-3,7H2,1H3;3-8H2,1-2H3.
What are the key properties of 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane?
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane has a molecular weight of 344.57 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole;octane is sourced from PubChem (CID 145091245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).