[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol

C15H20N2O — CID 61255400

IUPAC[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
SMILESCCCN(CC)c1nc(CO)cc2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-9-17(4-2)15-14-8-6-5-7-12(14)10-13(11-18)16-15/h5-8,10,18H,3-4,9,11H2,1-2H3
InChIKeyKLXQQFWPKICVCH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.96
Rot. Bonds5

About [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol

[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol (PubChem CID 61255400) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
PubChem CID61255400
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol
SMILESCCCN(CC)c1nc(CO)cc2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-9-17(4-2)15-14-8-6-5-7-12(14)10-13(11-18)16-15/h5-8,10,18H,3-4,9,11H2,1-2H3
InChIKeyKLXQQFWPKICVCH-UHFFFAOYSA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol (CID 61255400) is [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol is CCCN(CC)c1nc(CO)cc2ccccc12.
What is the InChIKey of [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol?
The InChIKey is KLXQQFWPKICVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-9-17(4-2)15-14-8-6-5-7-12(14)10-13(11-18)16-15/h5-8,10,18H,3-4,9,11H2,1-2H3.
What are the key properties of [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol?
[1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[ethyl(propyl)amino]isoquinolin-3-yl]methanol is sourced from PubChem (CID 61255400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).