(2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate

C21H15F2NO2 — CID 18923169

IUPAC(2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate
SMILESCN1C2=CC=CCC2=C(C(=O)Oc2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C21H15F2NO2/c1-24-17-11-4-2-7-13(17)19(14-8-3-5-12-18(14)24)21(25)26-20-15(22)9-6-10-16(20)23/h2-7,9-12H,8H2,1H3
InChIKeyACLVWUYZXPZVME-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.62
Rot. Bonds2

About (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate

(2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate (PubChem CID 18923169) has the molecular formula C21H15F2NO2 and a molecular weight of 351.35 g/mol. Its IUPAC name is (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name(2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate
PubChem CID18923169
Molecular FormulaC21H15F2NO2
Molecular Weight351.35 g/mol
Exact Mass351.11
IUPAC Name(2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate
SMILESCN1C2=CC=CCC2=C(C(=O)Oc2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C21H15F2NO2/c1-24-17-11-4-2-7-13(17)19(14-8-3-5-12-18(14)24)21(25)26-20-15(22)9-6-10-16(20)23/h2-7,9-12H,8H2,1H3
InChIKeyACLVWUYZXPZVME-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-difluorophenyl) 10-methyl-1H-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

[1-[(4-Fluorophenyl)methyl]-2,2,4-trimethylquinolin-6-yl] acetate
CID 45484211
(1-Benzyl-2,2,4-trimethylquinolin-6-yl) benzoate
CID 45484216
(1-Benzyl-2,2,4-trimethylquinolin-6-yl) 2-phenylacetate
CID 45484224
(1-Benzyl-2,2,4-trimethylquinolin-6-yl) 2,2-dimethylpropanoate
CID 45484233
(1-Benzyl-2,2,4-trimethylquinolin-6-yl) octanoate
CID 45484247
(1-Benzyl-2,2,4-trimethylquinolin-6-yl) cyclohexanecarboxylate
CID 45484260
[2,2,4-Trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl] acetate
CID 45484282
[1-[(3,4-Difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-yl] acetate
CID 53321338
3-[4-(Dimethylamino)phenyl]chromen-2-one
CID 54580332
3-[4-(Dimethylamino)phenyl]-6-(2-fluoroethoxy)chromen-2-one
CID 52936334
3-[4-(Dimethylamino)phenyl]-6-(3-fluoropropoxy)chromen-2-one
CID 52936335
3-[4-(Dimethylamino)phenyl]-6-fluorochromen-2-one
CID 52937859

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate?
The IUPAC name of (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate (CID 18923169) is (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate.
What is the SMILES notation for (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate?
The canonical SMILES for (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate is CN1C2=CC=CCC2=C(C(=O)Oc2c(F)cccc2F)c2ccccc21.
What is the InChIKey of (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate?
The InChIKey is ACLVWUYZXPZVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO2/c1-24-17-11-4-2-7-13(17)19(14-8-3-5-12-18(14)24)21(25)26-20-15(22)9-6-10-16(20)23/h2-7,9-12H,8H2,1H3.
What are the key properties of (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate?
(2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate has a molecular weight of 351.35 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl) 10-methyl-1H-acridine-9-carboxylate is sourced from PubChem (CID 18923169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).