4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine

C15H19N3O2 — CID 106543461

IUPAC4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine
SMILESCC(CCCN)Nc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C15H19N3O2/c1-10(3-2-5-16)18-15-12-8-14-13(19-9-20-14)7-11(12)4-6-17-15/h4,6-8,10H,2-3,5,9,16H2,1H3,(H,17,18)
InChIKeyRIXOQNWUKIDWCS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.50
Rot. Bonds5

About 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine

4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine (PubChem CID 106543461) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine
PubChem CID106543461
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine
SMILESCC(CCCN)Nc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C15H19N3O2/c1-10(3-2-5-16)18-15-12-8-14-13(19-9-20-14)7-11(12)4-6-17-15/h4,6-8,10H,2-3,5,9,16H2,1H3,(H,17,18)
InChIKeyRIXOQNWUKIDWCS-UHFFFAOYSA-N
XLogP2.50
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine 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

N-(5-chloropentan-2-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106542823
N-pentan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106537238
N-(4-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106538917
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propane-1,3-diamine
CID 82571318
4-N-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)pentane-2,4-diamine
CID 106543511
4-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106543464
N-(4-bromo-3-methylbutan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543100
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-methylpropane-1,3-diamine
CID 106543385
N-(1-cyclopropylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537549
N-pent-4-en-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106539518
N-(1-cyclopentylethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106538685
N-pent-1-yn-3-yl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106231129

Frequently Asked Questions

What is the IUPAC name of 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine?
The IUPAC name of 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine (CID 106543461) is 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine?
The canonical SMILES for 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine is CC(CCCN)Nc1nccc2cc3c(cc12)OCO3.
What is the InChIKey of 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine?
The InChIKey is RIXOQNWUKIDWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(3-2-5-16)18-15-12-8-14-13(19-9-20-14)7-11(12)4-6-17-15/h4,6-8,10H,2-3,5,9,16H2,1H3,(H,17,18).
What are the key properties of 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine?
4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pentane-1,4-diamine is sourced from PubChem (CID 106543461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).