3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol

C17H24N2O2 — CID 106287689

IUPAC3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1nccc2ccc(OC)cc12
InChIInChI=1S/C17H24N2O2/c1-4-12(5-2)16(20)11-19-17-15-10-14(21-3)7-6-13(15)8-9-18-17/h6-10,12,16,20H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyYMCDULGUSJDIQE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.45
Rot. Bonds7

About 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol

3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol (PubChem CID 106287689) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
PubChem CID106287689
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1nccc2ccc(OC)cc12
InChIInChI=1S/C17H24N2O2/c1-4-12(5-2)16(20)11-19-17-15-10-14(21-3)7-6-13(15)8-9-18-17/h6-10,12,16,20H,4-5,11H2,1-3H3,(H,18,19)
InChIKeyYMCDULGUSJDIQE-UHFFFAOYSA-N
XLogP3.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol with MolForge

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Related Compounds

N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
N-(3-chloro-2-methylpropyl)-7-methoxyisoquinolin-1-amine
CID 106542770
1-[2-[(7-methoxyisoquinolin-1-yl)amino]ethylamino]propan-2-ol
CID 106541080
7-methoxy-N-(2-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539651
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-3-methylbutanoic acid
CID 106536242
N-(2-ethylbutyl)-6-methoxyisoquinolin-1-amine
CID 106539875
N-(2-chloro-4,4-dimethylpentyl)-7-methoxyisoquinolin-1-amine
CID 107156112
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
3-[[(6-methoxyisoquinolin-1-yl)amino]methyl]pentan-1-ol
CID 106539125
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol (CID 106287689) is 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol is CCC(CC)C(O)CNc1nccc2ccc(OC)cc12.
What is the InChIKey of 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol?
The InChIKey is YMCDULGUSJDIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-12(5-2)16(20)11-19-17-15-10-14(21-3)7-6-13(15)8-9-18-17/h6-10,12,16,20H,4-5,11H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol?
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol is sourced from PubChem (CID 106287689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).