5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol

C15H20N2O2 — CID 103391450

IUPAC5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
SMILESCOCC(O)(CCCN)c1cccc2cnccc12
InChIInChI=1S/C15H20N2O2/c1-19-11-15(18,7-3-8-16)14-5-2-4-12-10-17-9-6-13(12)14/h2,4-6,9-10,18H,3,7-8,11,16H2,1H3
InChIKeyUTQURYHXJQDSQV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.81
Rot. Bonds6

About 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol

5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol (PubChem CID 103391450) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol.

Molecular Properties

Compound Name5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
PubChem CID103391450
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
SMILESCOCC(O)(CCCN)c1cccc2cnccc12
InChIInChI=1S/C15H20N2O2/c1-19-11-15(18,7-3-8-16)14-5-2-4-12-10-17-9-6-13(12)14/h2,4-6,9-10,18H,3,7-8,11,16H2,1H3
InChIKeyUTQURYHXJQDSQV-UHFFFAOYSA-N
XLogP1.81
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
2-isoquinolin-8-yl-1-methoxypropan-2-ol
CID 103142735
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
2-isoquinolin-8-yl-1-methoxybutan-2-amine
CID 103143248
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
CID 62811615
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol?
The IUPAC name of 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol (CID 103391450) is 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol.
What is the SMILES notation for 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol?
The canonical SMILES for 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol is COCC(O)(CCCN)c1cccc2cnccc12.
What is the InChIKey of 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol?
The InChIKey is UTQURYHXJQDSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-11-15(18,7-3-8-16)14-5-2-4-12-10-17-9-6-13(12)14/h2,4-6,9-10,18H,3,7-8,11,16H2,1H3.
What are the key properties of 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol?
5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol is sourced from PubChem (CID 103391450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).