5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one

C23H23N3O3 — CID 44557004

IUPAC5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one
SMILESCCN(CC)CCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3
InChIInChI=1S/C23H23N3O3/c1-3-25(4-2)9-10-26-22-16-7-8-24-13-15(16)5-6-17(22)18-11-20-21(29-14-28-20)12-19(18)23(26)27/h5-8,11-13H,3-4,9-10,14H2,1-2H3
InChIKeySDHMPFJIYHARSG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.77
Rot. Bonds5

About 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one

5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one (PubChem CID 44557004) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one
PubChem CID44557004
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one
SMILESCCN(CC)CCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3
InChIInChI=1S/C23H23N3O3/c1-3-25(4-2)9-10-26-22-16-7-8-24-13-15(16)5-6-17(22)18-11-20-21(29-14-28-20)12-19(18)23(26)27/h5-8,11-13H,3-4,9-10,14H2,1-2H3
InChIKeySDHMPFJIYHARSG-UHFFFAOYSA-N
XLogP3.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one 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 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one?
The IUPAC name of 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one (CID 44557004) is 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one.
What is the SMILES notation for 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one?
The canonical SMILES for 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one is CCN(CC)CCn1c(=O)c2cc3c(cc2c2ccc4cnccc4c21)OCO3.
What is the InChIKey of 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one?
The InChIKey is SDHMPFJIYHARSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-25(4-2)9-10-26-22-16-7-8-24-13-15(16)5-6-17(22)18-11-20-21(29-14-28-20)12-19(18)23(26)27/h5-8,11-13H,3-4,9-10,14H2,1-2H3.
What are the key properties of 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one?
5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one has a molecular weight of 389.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyl]-[1,3]benzodioxolo[5,6-c][1,8]phenanthrolin-6-one is sourced from PubChem (CID 44557004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).