[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol

C16H20N2O2 — CID 61452226

IUPAC[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol
SMILESCOCCN(c1nc(CO)cc2ccccc12)C1CC1
InChIInChI=1S/C16H20N2O2/c1-20-9-8-18(14-6-7-14)16-15-5-3-2-4-12(15)10-13(11-19)17-16/h2-5,10,14,19H,6-9,11H2,1H3
InChIKeyPOKWRACEWODHJI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.34
Rot. Bonds6

About [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol

[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol (PubChem CID 61452226) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol
PubChem CID61452226
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol
SMILESCOCCN(c1nc(CO)cc2ccccc12)C1CC1
InChIInChI=1S/C16H20N2O2/c1-20-9-8-18(14-6-7-14)16-15-5-3-2-4-12(15)10-13(11-19)17-16/h2-5,10,14,19H,6-9,11H2,1H3
InChIKeyPOKWRACEWODHJI-UHFFFAOYSA-N
XLogP2.34
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol?
The IUPAC name of [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol (CID 61452226) is [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol?
The canonical SMILES for [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol is COCCN(c1nc(CO)cc2ccccc12)C1CC1.
What is the InChIKey of [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol?
The InChIKey is POKWRACEWODHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-9-8-18(14-6-7-14)16-15-5-3-2-4-12(15)10-13(11-19)17-16/h2-5,10,14,19H,6-9,11H2,1H3.
What are the key properties of [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol?
[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol is sourced from PubChem (CID 61452226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).