1-isoquinolin-4-yl-2-propoxyethanol

C14H17NO2 — CID 63938415

IUPAC1-isoquinolin-4-yl-2-propoxyethanol
SMILESCCCOCC(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO2/c1-2-7-17-10-14(16)13-9-15-8-11-5-3-4-6-12(11)13/h3-6,8-9,14,16H,2,7,10H2,1H3
InChIKeyVRMGAMKXNZOWCL-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.69
Rot. Bonds5

About 1-isoquinolin-4-yl-2-propoxyethanol

1-isoquinolin-4-yl-2-propoxyethanol (PubChem CID 63938415) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-propoxyethanol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-propoxyethanol
PubChem CID63938415
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-isoquinolin-4-yl-2-propoxyethanol
SMILESCCCOCC(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO2/c1-2-7-17-10-14(16)13-9-15-8-11-5-3-4-6-12(11)13/h3-6,8-9,14,16H,2,7,10H2,1H3
InChIKeyVRMGAMKXNZOWCL-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-isoquinolin-4-yl-2-propoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
1-isoquinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147546
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
CID 104504624
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
1-isoquinolin-4-yl-2-propoxyethanone
CID 63940540
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
3-(2,2-difluoroethoxy)-1-isoquinolin-4-ylpropan-1-amine
CID 103149098
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-propoxyethanol?
The IUPAC name of 1-isoquinolin-4-yl-2-propoxyethanol (CID 63938415) is 1-isoquinolin-4-yl-2-propoxyethanol.
What is the SMILES notation for 1-isoquinolin-4-yl-2-propoxyethanol?
The canonical SMILES for 1-isoquinolin-4-yl-2-propoxyethanol is CCCOCC(O)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-propoxyethanol?
The InChIKey is VRMGAMKXNZOWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-7-17-10-14(16)13-9-15-8-11-5-3-4-6-12(11)13/h3-6,8-9,14,16H,2,7,10H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-2-propoxyethanol?
1-isoquinolin-4-yl-2-propoxyethanol has a molecular weight of 231.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-propoxyethanol is sourced from PubChem (CID 63938415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).