2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one

C23H27N3O3 — CID 11406725

IUPAC2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
SMILESO=c1c2ccc(OCCN3CCC3)cc2[nH]c2ccc(OCCN3CCC3)cc12
InChIInChI=1S/C23H27N3O3/c27-23-19-5-3-18(29-14-12-26-9-2-10-26)16-22(19)24-21-6-4-17(15-20(21)23)28-13-11-25-7-1-8-25/h3-6,15-16H,1-2,7-14H2,(H,24,27)
InChIKeyCXVDMOUVVKOKOE-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.85
Rot. Bonds8

About 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one

2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one (PubChem CID 11406725) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
PubChem CID11406725
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
SMILESO=c1c2ccc(OCCN3CCC3)cc2[nH]c2ccc(OCCN3CCC3)cc12
InChIInChI=1S/C23H27N3O3/c27-23-19-5-3-18(29-14-12-26-9-2-10-26)16-22(19)24-21-6-4-17(15-20(21)23)28-13-11-25-7-1-8-25/h3-6,15-16H,1-2,7-14H2,(H,24,27)
InChIKeyCXVDMOUVVKOKOE-UHFFFAOYSA-N
XLogP2.85
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one 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

3,8-bis[2-(azetidin-1-yl)ethoxy]-5H-phenanthridin-6-one
CID 57439766
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one
CID 155537258
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
CID 67381275
1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
CID 42606713
2,6-bis[3-(azetidin-1-yl)propoxy]thioxanthen-9-one
CID 57439620
2,7-diethoxy-10H-acridin-9-one
CID 163923657
2-octoxy-10H-acridin-9-one
CID 611041
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
CID 130345698
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one?
The IUPAC name of 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one (CID 11406725) is 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one.
What is the SMILES notation for 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one?
The canonical SMILES for 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one is O=c1c2ccc(OCCN3CCC3)cc2[nH]c2ccc(OCCN3CCC3)cc12.
What is the InChIKey of 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one?
The InChIKey is CXVDMOUVVKOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-23-19-5-3-18(29-14-12-26-9-2-10-26)16-22(19)24-21-6-4-17(15-20(21)23)28-13-11-25-7-1-8-25/h3-6,15-16H,1-2,7-14H2,(H,24,27).
What are the key properties of 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one?
2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one has a molecular weight of 393.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one is sourced from PubChem (CID 11406725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).