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

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Related Compounds

2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
CID 174806926
1-methoxy-10-methyl-9-naphthalen-1-yl-9H-acridine
CID 154630868
1-methoxy-10-methyl-9-(2,4,6-trimethylphenyl)-9H-acridine
CID 154630856
1,8-dimethoxy-N,N-dimethyl-9,10-diphenyl-9H-acridin-2-amine;hydrobromide
CID 175029185
(5S)-2-(2,6-dimethoxyphenyl)-3,5-dimethyl-4-phenyl-1,3-oxazolidine
CID 59245123
4-methoxy-10-methyl-5H-phenazine
CID 18427227
10,10-dichloro-1,9-dimethoxy-5-methylbenzo[b][1,4]benzazasiline
CID 122369508
(2,3,6-trifluorophenyl) 1,8-dimethoxy-10-methyl-9H-acridine-9-carboxylate
CID 174431862
N-benzyl-3,19-dimethoxy-8,14-dimethyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-1-carbothioamide
CID 53242679
(2R)-1-(3-methoxy-2-methylphenyl)-2-methyl-3-phenyl-2H-imidazole
CID 138671010
8-methoxy-N,N-dimethyl-10-phenyl-9-(2,4,6-trimethylphenyl)-9H-acridin-3-amine
CID 154630821
1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 53242430

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).