1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol

C15H20N2O2 — CID 106539773

IUPAC1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nccc2cc(OC)ccc12
InChIInChI=1S/C15H20N2O2/c1-3-12(18)7-9-17-15-14-5-4-13(19-2)10-11(14)6-8-16-15/h4-6,8,10,12,18H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyAKYWOGGNHJAAHI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.82
Rot. Bonds6

About 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol

1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol (PubChem CID 106539773) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
PubChem CID106539773
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nccc2cc(OC)ccc12
InChIInChI=1S/C15H20N2O2/c1-3-12(18)7-9-17-15-14-5-4-13(19-2)10-11(14)6-8-16-15/h4-6,8,10,12,18H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyAKYWOGGNHJAAHI-UHFFFAOYSA-N
XLogP2.82
TPSA54.38 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol (CID 106539773) is 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol is CCC(O)CCNc1nccc2cc(OC)ccc12.
What is the InChIKey of 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol?
The InChIKey is AKYWOGGNHJAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-12(18)7-9-17-15-14-5-4-13(19-2)10-11(14)6-8-16-15/h4-6,8,10,12,18H,3,7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol?
1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol has a molecular weight of 260.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxyisoquinolin-1-yl)amino]pentan-3-ol is sourced from PubChem (CID 106539773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).