phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate

C21H16FNO2 — CID 174861749

IUPACphenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate
SMILESCN1c2ccccc2C(C(=O)Oc2ccccc2)c2c(F)cccc21
InChIInChI=1S/C21H16FNO2/c1-23-17-12-6-5-10-15(17)19(20-16(22)11-7-13-18(20)23)21(24)25-14-8-3-2-4-9-14/h2-13,19H,1H3
InChIKeyIOMUZIRWSJMYIU-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.64
Rot. Bonds2

About phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate

phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate (PubChem CID 174861749) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate.

Molecular Properties

Compound Namephenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate
PubChem CID174861749
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Namephenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate
SMILESCN1c2ccccc2C(C(=O)Oc2ccccc2)c2c(F)cccc21
InChIInChI=1S/C21H16FNO2/c1-23-17-12-6-5-10-15(17)19(20-16(22)11-7-13-18(20)23)21(24)25-14-8-3-2-4-9-14/h2-13,19H,1H3
InChIKeyIOMUZIRWSJMYIU-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate 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

benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate
CID 174653249
(4-iodophenyl) 10-methyl-9H-acridine-9-carboxylate
CID 70191269
phenyl 10-methyl-2-phosphorosooxy-1-(2,2,2-trifluoroacetyl)oxy-9H-acridine-9-carboxylate
CID 69196250
(3-fluoro-5-hydroxyphenyl) 10-methyl-9H-acridine-9-carboxylate
CID 58817171
(2,6-dimethylphenyl) 10-methyl-1-(trifluoromethylsulfonyloxy)-9H-acridine-9-carboxylate
CID 87965188
(2,6-diacetylphenyl) 10-methyl-1-(trifluoromethylsulfonyloxy)-9H-acridine-9-carboxylate
CID 87964996
1-(2,6-difluorophenyl)-10-methyl-9H-acridine-9-carboxylic acid;9,10-dihydroacridine
CID 70140266
(2,3,6-trifluorophenyl) 1,4-dimethoxy-10-methyl-9H-acridine-9-carboxylate
CID 67662292
10-methyl-9H-acridine-9-carboxamide
CID 118456170
(2,3,6-trifluorophenyl) 1,8-dimethoxy-10-methyl-9H-acridine-9-carboxylate
CID 174431862
(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 8572256
2-(diethylamino)ethyl 10-methyl-9H-acridine-9-carboxylate;hydrochloride
CID 138401573

Frequently Asked Questions

What is the IUPAC name of phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
The IUPAC name of phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate (CID 174861749) is phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate.
What is the SMILES notation for phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
The canonical SMILES for phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate is CN1c2ccccc2C(C(=O)Oc2ccccc2)c2c(F)cccc21.
What is the InChIKey of phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
The InChIKey is IOMUZIRWSJMYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-23-17-12-6-5-10-15(17)19(20-16(22)11-7-13-18(20)23)21(24)25-14-8-3-2-4-9-14/h2-13,19H,1H3.
What are the key properties of phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate has a molecular weight of 333.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate is sourced from PubChem (CID 174861749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).