1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol

C22H25NO2 — CID 5059

IUPAC1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
InChIKeyJRLOEMCOOZSCQP-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.43
Rot. Bonds8

About 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol

1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol (PubChem CID 5059) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol.

Molecular Properties

Compound Name1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
PubChem CID5059
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
InChIKeyJRLOEMCOOZSCQP-UHFFFAOYSA-N
XLogP5.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol 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 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The IUPAC name of 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol (CID 5059) is 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol.
What is the SMILES notation for 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The canonical SMILES for 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol is CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
The InChIKey is JRLOEMCOOZSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3.
What are the key properties of 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol?
1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol has a molecular weight of 335.45 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol is sourced from PubChem (CID 5059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).