1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol

C17H15ClN2O — CID 106538116

IUPAC1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c1-11(12-2-5-14(18)6-3-12)20-17-16-10-15(21)7-4-13(16)8-9-19-17/h2-11,21H,1H3,(H,19,20)
InChIKeyUMRFSTKUNKJUGV-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.77
Rot. Bonds3

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

1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol (PubChem CID 106538116) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
PubChem CID106538116
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O/c1-11(12-2-5-14(18)6-3-12)20-17-16-10-15(21)7-4-13(16)8-9-19-17/h2-11,21H,1H3,(H,19,20)
InChIKeyUMRFSTKUNKJUGV-UHFFFAOYSA-N
XLogP4.77
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol (CID 106538116) is 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol is CC(Nc1nccc2ccc(O)cc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol?
The InChIKey is UMRFSTKUNKJUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11(12-2-5-14(18)6-3-12)20-17-16-10-15(21)7-4-13(16)8-9-19-17/h2-11,21H,1H3,(H,19,20).
What are the key properties of 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol?
1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol has a molecular weight of 298.77 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol is sourced from PubChem (CID 106538116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).