2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol

C14H18N2O2 — CID 104504739

IUPAC2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1cncc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-18-7-6-16-14(10-17)13-9-15-8-11-4-2-3-5-12(11)13/h2-5,8-9,14,16-17H,6-7,10H2,1H3
InChIKeyMFNWUDFVQBEVNH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds6

About 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol

2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol (PubChem CID 104504739) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol
PubChem CID104504739
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1cncc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-18-7-6-16-14(10-17)13-9-15-8-11-4-2-3-5-12(11)13/h2-5,8-9,14,16-17H,6-7,10H2,1H3
InChIKeyMFNWUDFVQBEVNH-UHFFFAOYSA-N
XLogP1.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
2-(cyclopropylamino)-2-isoquinolin-4-ylethanol
CID 113420191
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
CID 63939204
1-isoquinolin-4-yl-4-methyl-N-propylpentan-1-amine
CID 63940553
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
N-(1-isoquinolin-4-yl-2,2-dimethoxyethyl)propan-1-amine
CID 79492792
1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol
CID 79197515
2-tert-butylsulfanyl-1-isoquinolin-4-yl-N-methylethanamine
CID 65133000
N-(2-butan-2-ylsulfanyl-1-isoquinolin-4-ylethyl)propan-1-amine
CID 65140966
(1R)-1-isoquinolin-4-ylethanol
CID 102064621

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol (CID 104504739) is 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol is COCCNC(CO)c1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol?
The InChIKey is MFNWUDFVQBEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-7-6-16-14(10-17)13-9-15-8-11-4-2-3-5-12(11)13/h2-5,8-9,14,16-17H,6-7,10H2,1H3.
What are the key properties of 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol?
2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 104504739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).