5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine

C15H20N2O3 — CID 103176845

IUPAC5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
SMILESCOCCCOCCOc1ccc(N)c2cnccc12
InChIInChI=1S/C15H20N2O3/c1-18-7-2-8-19-9-10-20-15-4-3-14(16)13-11-17-6-5-12(13)15/h3-6,11H,2,7-10,16H2,1H3
InChIKeySMHWDYUXSSDLPB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds8

About 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine

5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine (PubChem CID 103176845) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
PubChem CID103176845
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine
SMILESCOCCCOCCOc1ccc(N)c2cnccc12
InChIInChI=1S/C15H20N2O3/c1-18-7-2-8-19-9-10-20-15-4-3-14(16)13-11-17-6-5-12(13)15/h3-6,11H,2,7-10,16H2,1H3
InChIKeySMHWDYUXSSDLPB-UHFFFAOYSA-N
XLogP2.25
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
5-[2-(2-methylpropoxy)ethoxy]isoquinolin-8-amine
CID 106446795
4-[2-(2-methoxyethoxy)ethoxy]pyridin-3-amine
CID 104559949
[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
CID 103176702
8-propoxyisoquinolin-5-amine
CID 103139869
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-(5-aminoisoquinolin-8-yl)oxyethanol
CID 103139769
8-ethoxyisoquinolin-5-amine
CID 103139590
5-[(4-methoxyphenyl)methoxy]isoquinolin-8-amine
CID 43448916
3-[3-(3-methoxypropoxy)propyl]pyridin-4-amine
CID 103184229
8-(4,4,4-trifluorobutoxy)isoquinolin-5-amine
CID 103140102
5-(2-butoxyethoxy)-3-methylisoquinolin-8-amine
CID 102713811

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine (CID 103176845) is 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine is COCCCOCCOc1ccc(N)c2cnccc12.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine?
The InChIKey is SMHWDYUXSSDLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-18-7-2-8-19-9-10-20-15-4-3-14(16)13-11-17-6-5-12(13)15/h3-6,11H,2,7-10,16H2,1H3.
What are the key properties of 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine?
5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine has a molecular weight of 276.34 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethoxy]isoquinolin-8-amine is sourced from PubChem (CID 103176845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).