1-(1-cyclobutylethylamino)isoquinolin-7-ol

C15H18N2O — CID 106539803

IUPAC1-(1-cyclobutylethylamino)isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)C1CCC1
InChIInChI=1S/C15H18N2O/c1-10(11-3-2-4-11)17-15-14-9-13(18)6-5-12(14)7-8-16-15/h5-11,18H,2-4H2,1H3,(H,16,17)
InChIKeyMCUXFMBMEABQQT-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.54
Rot. Bonds3

About 1-(1-cyclobutylethylamino)isoquinolin-7-ol

1-(1-cyclobutylethylamino)isoquinolin-7-ol (PubChem CID 106539803) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(1-cyclobutylethylamino)isoquinolin-7-ol.

Molecular Properties

Compound Name1-(1-cyclobutylethylamino)isoquinolin-7-ol
PubChem CID106539803
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(1-cyclobutylethylamino)isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)C1CCC1
InChIInChI=1S/C15H18N2O/c1-10(11-3-2-4-11)17-15-14-9-13(18)6-5-12(14)7-8-16-15/h5-11,18H,2-4H2,1H3,(H,16,17)
InChIKeyMCUXFMBMEABQQT-UHFFFAOYSA-N
XLogP3.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol
CID 106537295
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555
N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106538685
1-[(4-bromo-3-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543097
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-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
CID 106538116
N-(1-cyclopropylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537549
1-(thian-3-ylamino)isoquinolin-7-ol
CID 106539790
1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol
CID 106539816
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]propanoate
CID 106538103
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethylamino)isoquinolin-7-ol?
The IUPAC name of 1-(1-cyclobutylethylamino)isoquinolin-7-ol (CID 106539803) is 1-(1-cyclobutylethylamino)isoquinolin-7-ol.
What is the SMILES notation for 1-(1-cyclobutylethylamino)isoquinolin-7-ol?
The canonical SMILES for 1-(1-cyclobutylethylamino)isoquinolin-7-ol is CC(Nc1nccc2ccc(O)cc12)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethylamino)isoquinolin-7-ol?
The InChIKey is MCUXFMBMEABQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10(11-3-2-4-11)17-15-14-9-13(18)6-5-12(14)7-8-16-15/h5-11,18H,2-4H2,1H3,(H,16,17).
What are the key properties of 1-(1-cyclobutylethylamino)isoquinolin-7-ol?
1-(1-cyclobutylethylamino)isoquinolin-7-ol has a molecular weight of 242.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethylamino)isoquinolin-7-ol is sourced from PubChem (CID 106539803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).