1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide

C22H22BrNO2 — CID 172854854

IUPAC1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide
SMILESBr.COc1cccc2c1C(c1ccccc1)c1c(OC)cccc1N2C
InChIInChI=1S/C22H21NO2.BrH/c1-23-16-11-7-13-18(24-2)21(16)20(15-9-5-4-6-10-15)22-17(23)12-8-14-19(22)25-3;/h4-14,20H,1-3H3;1H
InChIKeyYODHZDIHWXEDJR-UHFFFAOYSA-N
MW412.33 g/mol
LogP5.54
Rot. Bonds3

About 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide

1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide (PubChem CID 172854854) has the molecular formula C22H22BrNO2 and a molecular weight of 412.33 g/mol. Its IUPAC name is 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide.

Molecular Properties

Compound Name1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide
PubChem CID172854854
Molecular FormulaC22H22BrNO2
Molecular Weight412.33 g/mol
Exact Mass411.08
IUPAC Name1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide
SMILESBr.COc1cccc2c1C(c1ccccc1)c1c(OC)cccc1N2C
InChIInChI=1S/C22H21NO2.BrH/c1-23-16-11-7-13-18(24-2)21(16)20(15-9-5-4-6-10-15)22-17(23)12-8-14-19(22)25-3;/h4-14,20H,1-3H3;1H
InChIKeyYODHZDIHWXEDJR-UHFFFAOYSA-N
XLogP5.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide 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 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide?
The IUPAC name of 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide (CID 172854854) is 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide.
What is the SMILES notation for 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide?
The canonical SMILES for 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide is Br.COc1cccc2c1C(c1ccccc1)c1c(OC)cccc1N2C.
What is the InChIKey of 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide?
The InChIKey is YODHZDIHWXEDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2.BrH/c1-23-16-11-7-13-18(24-2)21(16)20(15-9-5-4-6-10-15)22-17(23)12-8-14-19(22)25-3;/h4-14,20H,1-3H3;1H.
What are the key properties of 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide?
1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide has a molecular weight of 412.33 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide is sourced from PubChem (CID 172854854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).