4-ethoxy-1-isoquinolin-5-ylbutan-1-ol

C15H19NO2 — CID 105094595

IUPAC4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
SMILESCCOCCCC(O)c1cccc2cnccc12
InChIInChI=1S/C15H19NO2/c1-2-18-10-4-7-15(17)14-6-3-5-12-11-16-9-8-13(12)14/h3,5-6,8-9,11,15,17H,2,4,7,10H2,1H3
InChIKeyUWHNNJFPCZRDGC-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds6

About 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol

4-ethoxy-1-isoquinolin-5-ylbutan-1-ol (PubChem CID 105094595) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol.

Molecular Properties

Compound Name4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
PubChem CID105094595
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
SMILESCCOCCCC(O)c1cccc2cnccc12
InChIInChI=1S/C15H19NO2/c1-2-18-10-4-7-15(17)14-6-3-5-12-11-16-9-8-13(12)14/h3,5-6,8-9,11,15,17H,2,4,7,10H2,1H3
InChIKeyUWHNNJFPCZRDGC-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-ethyl-1-isoquinolin-5-ylbutan-1-amine
CID 105143482
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 105110901
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
CID 105094616
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
CID 62813667
(3-ethoxy-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141619
2-ethoxy-1-isoquinolin-5-yl-2-methylbutan-1-ol
CID 116752226
2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
CID 62813513

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol?
The IUPAC name of 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol (CID 105094595) is 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol.
What is the SMILES notation for 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol?
The canonical SMILES for 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol is CCOCCCC(O)c1cccc2cnccc12.
What is the InChIKey of 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol?
The InChIKey is UWHNNJFPCZRDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-10-4-7-15(17)14-6-3-5-12-11-16-9-8-13(12)14/h3,5-6,8-9,11,15,17H,2,4,7,10H2,1H3.
What are the key properties of 4-ethoxy-1-isoquinolin-5-ylbutan-1-ol?
4-ethoxy-1-isoquinolin-5-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-isoquinolin-5-ylbutan-1-ol is sourced from PubChem (CID 105094595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).