1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol

C18H22N2O — CID 106537295

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O/c1-11(16-9-12-2-3-14(16)8-12)20-18-17-10-15(21)5-4-13(17)6-7-19-18/h4-7,10-12,14,16,21H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyNXRXSOIYPHVCJD-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.18
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol (PubChem CID 106537295) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol
PubChem CID106537295
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O/c1-11(16-9-12-2-3-14(16)8-12)20-18-17-10-15(21)5-4-13(17)6-7-19-18/h4-7,10-12,14,16,21H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyNXRXSOIYPHVCJD-UHFFFAOYSA-N
XLogP4.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile
CID 82817357
4-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]benzene-1,3-diol
CID 43193368
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine
CID 63536108
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
2-[(7-hydroxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 106538911
1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol
CID 106539816
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 43517740
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-nitropyridin-2-amine
CID 98871144
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine
CID 98300920
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine
CID 21003164
1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
CID 106538116

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol (CID 106537295) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol is CC(Nc1nccc2ccc(O)cc12)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol?
The InChIKey is NXRXSOIYPHVCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(16-9-12-2-3-14(16)8-12)20-18-17-10-15(21)5-4-13(17)6-7-19-18/h4-7,10-12,14,16,21H,2-3,8-9H2,1H3,(H,19,20).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol has a molecular weight of 282.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol is sourced from PubChem (CID 106537295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).