2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol

C16H22N2O3 — CID 106541350

IUPAC2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol
SMILESCOc1cc2ccnc(N(CCO)C(C)C)c2cc1OC
InChIInChI=1S/C16H22N2O3/c1-11(2)18(7-8-19)16-13-10-15(21-4)14(20-3)9-12(13)5-6-17-16/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyFLTQUWQDLHUTBG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.46
Rot. Bonds6

About 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol

2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol (PubChem CID 106541350) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol
PubChem CID106541350
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol
SMILESCOc1cc2ccnc(N(CCO)C(C)C)c2cc1OC
InChIInChI=1S/C16H22N2O3/c1-11(2)18(7-8-19)16-13-10-15(21-4)14(20-3)9-12(13)5-6-17-16/h5-6,9-11,19H,7-8H2,1-4H3
InChIKeyFLTQUWQDLHUTBG-UHFFFAOYSA-N
XLogP2.46
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-hydroxypropyl(propan-2-yl)amino]isoquinolin-7-ol
CID 106541399
N-(2-bromoethyl)-6-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542836
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192
2-[furo[3,2-c]pyridin-4-yl(propan-2-yl)amino]ethanol
CID 106535445
N-(3-bromopropyl)-7-methoxy-N-propan-2-ylisoquinolin-1-amine
CID 106542939
3-[(6,7-dimethoxyisoquinolin-1-yl)amino]-2-methylbutan-1-ol
CID 106539656
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-propan-2-ylamino]ethanol
CID 107055329
2-[(6,7-dimethoxyisoquinolin-1-yl)amino]-3-methylbutan-1-ol
CID 106539049
6,7-dimethoxy-1-methylisoquinoline
CID 20725
2-[(3-aminopyrazin-2-yl)-propan-2-ylamino]ethanol
CID 102986225
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
2-[2-hydroxyethyl-(5-methoxyisoquinolin-1-yl)amino]ethanol
CID 106541407

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol (CID 106541350) is 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol is COc1cc2ccnc(N(CCO)C(C)C)c2cc1OC.
What is the InChIKey of 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol?
The InChIKey is FLTQUWQDLHUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18(7-8-19)16-13-10-15(21-4)14(20-3)9-12(13)5-6-17-16/h5-6,9-11,19H,7-8H2,1-4H3.
What are the key properties of 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol?
2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol has a molecular weight of 290.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxyisoquinolin-1-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 106541350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).