4-ethoxy-1-quinolin-3-ylbutan-1-ol

C15H19NO2 — CID 105079383

IUPAC4-ethoxy-1-quinolin-3-ylbutan-1-ol
SMILESCCOCCCC(O)c1cnc2ccccc2c1
InChIInChI=1S/C15H19NO2/c1-2-18-9-5-8-15(17)13-10-12-6-3-4-7-14(12)16-11-13/h3-4,6-7,10-11,15,17H,2,5,8-9H2,1H3
InChIKeyGIMFTFGAJHLJCE-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds6

About 4-ethoxy-1-quinolin-3-ylbutan-1-ol

4-ethoxy-1-quinolin-3-ylbutan-1-ol (PubChem CID 105079383) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethoxy-1-quinolin-3-ylbutan-1-ol.

Molecular Properties

Compound Name4-ethoxy-1-quinolin-3-ylbutan-1-ol
PubChem CID105079383
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-ethoxy-1-quinolin-3-ylbutan-1-ol
SMILESCCOCCCC(O)c1cnc2ccccc2c1
InChIInChI=1S/C15H19NO2/c1-2-18-9-5-8-15(17)13-10-12-6-3-4-7-14(12)16-11-13/h3-4,6-7,10-11,15,17H,2,5,8-9H2,1H3
InChIKeyGIMFTFGAJHLJCE-UHFFFAOYSA-N
XLogP3.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-methyl-1-quinolin-3-ylbutan-1-amine
CID 105097537
1-quinolin-3-ylbutan-1-ol
CID 60924193
3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
CID 105097975
3-(3-ethoxypropyl)quinoline
CID 91801315
(4-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893046
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
(2-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893818
1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol
CID 105079373
1-quinolin-3-ylbut-3-en-1-ol
CID 77273716
2-ethoxy-1-quinolin-3-ylpropan-1-amine
CID 64542181
(3-ethoxyphenyl)-quinolin-3-ylmethanol
CID 60924190
2-ethoxy-3,3-dimethyl-1-quinolin-3-ylbutan-1-ol
CID 116713427

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-quinolin-3-ylbutan-1-ol?
The IUPAC name of 4-ethoxy-1-quinolin-3-ylbutan-1-ol (CID 105079383) is 4-ethoxy-1-quinolin-3-ylbutan-1-ol.
What is the SMILES notation for 4-ethoxy-1-quinolin-3-ylbutan-1-ol?
The canonical SMILES for 4-ethoxy-1-quinolin-3-ylbutan-1-ol is CCOCCCC(O)c1cnc2ccccc2c1.
What is the InChIKey of 4-ethoxy-1-quinolin-3-ylbutan-1-ol?
The InChIKey is GIMFTFGAJHLJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-9-5-8-15(17)13-10-12-6-3-4-7-14(12)16-11-13/h3-4,6-7,10-11,15,17H,2,5,8-9H2,1H3.
What are the key properties of 4-ethoxy-1-quinolin-3-ylbutan-1-ol?
4-ethoxy-1-quinolin-3-ylbutan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-quinolin-3-ylbutan-1-ol is sourced from PubChem (CID 105079383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).