6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane

C25H38N2O — CID 145105898

IUPAC6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
SMILESCCCCCCCC.CCOc1ccc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C17H20N2O.C8H18/c1-3-20-17-9-7-15(12-18-17)13-6-8-16-14(11-13)5-4-10-19(16)2;1-3-5-7-8-6-4-2/h6-9,11-12H,3-5,10H2,1-2H3;3-8H2,1-2H3
InChIKeyHCLXHBGYOSWYGU-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.90
Rot. Bonds8

About 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane

6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane (PubChem CID 145105898) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane.

Molecular Properties

Compound Name6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
PubChem CID145105898
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane
SMILESCCCCCCCC.CCOc1ccc(-c2ccc3c(c2)CCCN3C)cn1
InChIInChI=1S/C17H20N2O.C8H18/c1-3-20-17-9-7-15(12-18-17)13-6-8-16-14(11-13)5-4-10-19(16)2;1-3-5-7-8-6-4-2/h6-9,11-12H,3-5,10H2,1-2H3;3-8H2,1-2H3
InChIKeyHCLXHBGYOSWYGU-UHFFFAOYSA-N
XLogP6.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane?
The IUPAC name of 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane (CID 145105898) is 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane.
What is the SMILES notation for 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane?
The canonical SMILES for 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane is CCCCCCCC.CCOc1ccc(-c2ccc3c(c2)CCCN3C)cn1.
What is the InChIKey of 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane?
The InChIKey is HCLXHBGYOSWYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C8H18/c1-3-20-17-9-7-15(12-18-17)13-6-8-16-14(11-13)5-4-10-19(16)2;1-3-5-7-8-6-4-2/h6-9,11-12H,3-5,10H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane?
6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane has a molecular weight of 382.59 g/mol, XLogP of 6.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxy-3-pyridinyl)-1-methyl-3,4-dihydro-2H-quinoline;octane is sourced from PubChem (CID 145105898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).