3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one

C22H27ClN2O2 — CID 59242966

IUPAC3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one
SMILESCCN(CC)CCCCCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C22H27ClN2O2/c1-3-25(4-2)12-6-5-7-13-27-17-9-11-19-21(15-17)24-20-14-16(23)8-10-18(20)22(19)26/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,26)
InChIKeyUKEDWNDALMVHJP-UHFFFAOYSA-N
MW386.92 g/mol
LogP5.23
Rot. Bonds9

About 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one

3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one (PubChem CID 59242966) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one
PubChem CID59242966
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one
SMILESCCN(CC)CCCCCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1
InChIInChI=1S/C22H27ClN2O2/c1-3-25(4-2)12-6-5-7-13-27-17-9-11-19-21(15-17)24-20-14-16(23)8-10-18(20)22(19)26/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,26)
InChIKeyUKEDWNDALMVHJP-UHFFFAOYSA-N
XLogP5.23
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-6-[5-(diethylamino)pentoxy]-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one?
The IUPAC name of 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one (CID 59242966) is 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one.
What is the SMILES notation for 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one?
The canonical SMILES for 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one is CCN(CC)CCCCCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1.
What is the InChIKey of 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one?
The InChIKey is UKEDWNDALMVHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-3-25(4-2)12-6-5-7-13-27-17-9-11-19-21(15-17)24-20-14-16(23)8-10-18(20)22(19)26/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,26).
What are the key properties of 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one?
3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one has a molecular weight of 386.92 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[5-(diethylamino)pentoxy]-10H-acridin-9-one is sourced from PubChem (CID 59242966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).