2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol

C14H18N2O3 — CID 106541407

IUPAC2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
SMILESCOc1cccc2c(N(CCO)CCO)nccc12
InChIInChI=1S/C14H18N2O3/c1-19-13-4-2-3-12-11(13)5-6-15-14(12)16(7-9-17)8-10-18/h2-6,17-18H,7-10H2,1H3
InChIKeyBNIXUHFMEPPQSA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol

2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol (PubChem CID 106541407) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
PubChem CID106541407
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
SMILESCOc1cccc2c(N(CCO)CCO)nccc12
InChIInChI=1S/C14H18N2O3/c1-19-13-4-2-3-12-11(13)5-6-15-14(12)16(7-9-17)8-10-18/h2-6,17-18H,7-10H2,1H3
InChIKeyBNIXUHFMEPPQSA-UHFFFAOYSA-N
XLogP1.03
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxyisoquinolin-1-yl)-propylamino]ethanol
CID 106541421
N'-(5-methoxyisoquinolin-1-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 106542327
N-butyl-N-(2-chloroethyl)-5-methoxyisoquinolin-1-amine
CID 106542513
3-[2-methoxyethyl-(5-methoxyisoquinolin-1-yl)amino]propanenitrile
CID 106536675
methyl 3-[ethyl-(5-methoxyisoquinolin-1-yl)amino]propanoate
CID 106541919
2-[(5-methoxyisoquinolin-1-yl)-prop-2-ynylamino]acetic acid
CID 106536317
2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941
2-[(5-bromoisoquinolin-1-yl)-butylamino]ethanol
CID 106541425
N-(2-bromoethyl)-N-cyclobutyl-5-methoxyisoquinolin-1-amine
CID 106543272
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol
CID 91651077

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol (CID 106541407) is 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol is COc1cccc2c(N(CCO)CCO)nccc12.
What is the InChIKey of 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol?
The InChIKey is BNIXUHFMEPPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-13-4-2-3-12-11(13)5-6-15-14(12)16(7-9-17)8-10-18/h2-6,17-18H,7-10H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol?
2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol is sourced from PubChem (CID 106541407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).