1-(2-aminoethyl)isoquinolin-5-ol

C11H12N2O — CID 84661446

IUPAC1-(2-aminoethyl)isoquinolin-5-ol
SMILESNCCc1nccc2c(O)cccc12
InChIInChI=1S/C11H12N2O/c12-6-4-10-8-2-1-3-11(14)9(8)5-7-13-10/h1-3,5,7,14H,4,6,12H2
InChIKeyPZFLEFXYZQKGDZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-aminoethyl)isoquinolin-5-ol

1-(2-aminoethyl)isoquinolin-5-ol (PubChem CID 84661446) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-aminoethyl)isoquinolin-5-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)isoquinolin-5-ol
PubChem CID84661446
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(2-aminoethyl)isoquinolin-5-ol
SMILESNCCc1nccc2c(O)cccc12
InChIInChI=1S/C11H12N2O/c12-6-4-10-8-2-1-3-11(14)9(8)5-7-13-10/h1-3,5,7,14H,4,6,12H2
InChIKeyPZFLEFXYZQKGDZ-UHFFFAOYSA-N
XLogP1.44
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminoethyl)isoquinolin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-fluoroisoquinolin-1-yl)propan-1-amine
CID 82576520
2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine
CID 82410494
4-isoquinolin-1-ylbutan-1-amine
CID 57124136
ethane;naphthalene-1,5-diol;propane
CID 161367010
formaldehyde;naphthalene-1,5-diol
CID 21419428
methyl 2-(5-methylisoquinolin-1-yl)acetate
CID 82575040
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
2-(3-chloropyrazin-2-yl)ethanamine
CID 134588133
2-(6,8-dichloroisoquinolin-1-yl)ethanamine
CID 82575496
5-[3-(2-aminoethyl)phenyl]quinolin-8-ol
CID 39225223

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)isoquinolin-5-ol?
The IUPAC name of 1-(2-aminoethyl)isoquinolin-5-ol (CID 84661446) is 1-(2-aminoethyl)isoquinolin-5-ol.
What is the SMILES notation for 1-(2-aminoethyl)isoquinolin-5-ol?
The canonical SMILES for 1-(2-aminoethyl)isoquinolin-5-ol is NCCc1nccc2c(O)cccc12.
What is the InChIKey of 1-(2-aminoethyl)isoquinolin-5-ol?
The InChIKey is PZFLEFXYZQKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-4-10-8-2-1-3-11(14)9(8)5-7-13-10/h1-3,5,7,14H,4,6,12H2.
What are the key properties of 1-(2-aminoethyl)isoquinolin-5-ol?
1-(2-aminoethyl)isoquinolin-5-ol has a molecular weight of 188.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)isoquinolin-5-ol is sourced from PubChem (CID 84661446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).