1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol

C17H15FN2O — CID 106537250

IUPAC1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O/c18-14-4-1-12(2-5-14)7-9-19-17-16-11-15(21)6-3-13(16)8-10-20-17/h1-6,8,10-11,21H,7,9H2,(H,19,20)
InChIKeyGZZQSLSAORBOMS-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol

1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol (PubChem CID 106537250) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol
PubChem CID106537250
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol
SMILESOc1ccc2ccnc(NCCc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O/c18-14-4-1-12(2-5-14)7-9-19-17-16-11-15(21)6-3-13(16)8-10-20-17/h1-6,8,10-11,21H,7,9H2,(H,19,20)
InChIKeyGZZQSLSAORBOMS-UHFFFAOYSA-N
XLogP3.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 68095484
1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890718
1-[[(6-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890186
1-[(Pyridin-2-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 263867
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-(7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974908
N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115791
N-[7-(4-fluoro-3-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71128025
1-(4-Methyl-2-pyridyliminomethyl)-2-naphthol
CID 809927
Diarylurea deriv. 14
CID 5330595
3-(1-Aminoisoquinolin-7-yl)phenol
CID 44530518
1-[(Pyridin-2-ylamino)methyl]naphthalen-2-ol
CID 759948

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol (CID 106537250) is 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol is Oc1ccc2ccnc(NCCc3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol?
The InChIKey is GZZQSLSAORBOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-14-4-1-12(2-5-14)7-9-19-17-16-11-15(21)6-3-13(16)8-10-20-17/h1-6,8,10-11,21H,7,9H2,(H,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol?
1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol has a molecular weight of 282.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethylamino]isoquinolin-7-ol is sourced from PubChem (CID 106537250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).