1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol

C16H23N3O — CID 106543352

IUPAC1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
SMILESCCC(CC)N(CCN)c1nccc2ccc(O)cc12
InChIInChI=1S/C16H23N3O/c1-3-13(4-2)19(10-8-17)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,3-4,8,10,17H2,1-2H3
InChIKeyUXXZEWLCXVVXHW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol

1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol (PubChem CID 106543352) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol.

Molecular Properties

Compound Name1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
PubChem CID106543352
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
SMILESCCC(CC)N(CCN)c1nccc2ccc(O)cc12
InChIInChI=1S/C16H23N3O/c1-3-13(4-2)19(10-8-17)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,3-4,8,10,17H2,1-2H3
InChIKeyUXXZEWLCXVVXHW-UHFFFAOYSA-N
XLogP2.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
The IUPAC name of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol (CID 106543352) is 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol.
What is the SMILES notation for 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
The canonical SMILES for 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol is CCC(CC)N(CCN)c1nccc2ccc(O)cc12.
What is the InChIKey of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
The InChIKey is UXXZEWLCXVVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-13(4-2)19(10-8-17)16-15-11-14(20)6-5-12(15)7-9-18-16/h5-7,9,11,13,20H,3-4,8,10,17H2,1-2H3.
What are the key properties of 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol?
1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol has a molecular weight of 273.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol is sourced from PubChem (CID 106543352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).