1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol

C14H14N4O — CID 106539816

IUPAC1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)c1ncc[nH]1
InChIInChI=1S/C14H14N4O/c1-9(13-16-6-7-17-13)18-14-12-8-11(19)3-2-10(12)4-5-15-14/h2-9,19H,1H3,(H,15,18)(H,16,17)
InChIKeyXNUUXFXVGSCUES-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.84
Rot. Bonds3

About 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol

1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol (PubChem CID 106539816) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol
PubChem CID106539816
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol
SMILESCC(Nc1nccc2ccc(O)cc12)c1ncc[nH]1
InChIInChI=1S/C14H14N4O/c1-9(13-16-6-7-17-13)18-14-12-8-11(19)3-2-10(12)4-5-15-14/h2-9,19H,1H3,(H,15,18)(H,16,17)
InChIKeyXNUUXFXVGSCUES-UHFFFAOYSA-N
XLogP2.84
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
CID 106538116
2-[(7-hydroxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 106538911
1-[(4-bromo-3-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543097
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
CID 106540035
methyl 2-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoate
CID 106536076
ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]propanoate
CID 106538103
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide
CID 106539409
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol
CID 106537295
1-(2,2-dimethylhydrazinyl)isoquinolin-7-ol
CID 106539287

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol?
The IUPAC name of 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol (CID 106539816) is 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol.
What is the SMILES notation for 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol?
The canonical SMILES for 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol is CC(Nc1nccc2ccc(O)cc12)c1ncc[nH]1.
What is the InChIKey of 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol?
The InChIKey is XNUUXFXVGSCUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(13-16-6-7-17-13)18-14-12-8-11(19)3-2-10(12)4-5-15-14/h2-9,19H,1H3,(H,15,18)(H,16,17).
What are the key properties of 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol?
1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol has a molecular weight of 254.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol is sourced from PubChem (CID 106539816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).