(2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate

C21H14F3NO3 — CID 67553915

IUPAC(2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate
SMILESCOc1cccc2c1C(C(=O)Oc1ccc(F)c(F)c1F)c1ccccc1N2
InChIInChI=1S/C21H14F3NO3/c1-27-15-8-4-7-14-18(15)17(11-5-2-3-6-13(11)25-14)21(26)28-16-10-9-12(22)19(23)20(16)24/h2-10,17,25H,1H3
InChIKeyYSOVSJPGLKVWSQ-UHFFFAOYSA-N
MW385.34 g/mol
LogP4.91
Rot. Bonds3

About (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate

(2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate (PubChem CID 67553915) has the molecular formula C21H14F3NO3 and a molecular weight of 385.34 g/mol. Its IUPAC name is (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate.

Molecular Properties

Compound Name(2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate
PubChem CID67553915
Molecular FormulaC21H14F3NO3
Molecular Weight385.34 g/mol
Exact Mass385.09
IUPAC Name(2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate
SMILESCOc1cccc2c1C(C(=O)Oc1ccc(F)c(F)c1F)c1ccccc1N2
InChIInChI=1S/C21H14F3NO3/c1-27-15-8-4-7-14-18(15)17(11-5-2-3-6-13(11)25-14)21(26)28-16-10-9-12(22)19(23)20(16)24/h2-10,17,25H,1H3
InChIKeyYSOVSJPGLKVWSQ-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-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

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate?
The IUPAC name of (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate (CID 67553915) is (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate.
What is the SMILES notation for (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate?
The canonical SMILES for (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate is COc1cccc2c1C(C(=O)Oc1ccc(F)c(F)c1F)c1ccccc1N2.
What is the InChIKey of (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate?
The InChIKey is YSOVSJPGLKVWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO3/c1-27-15-8-4-7-14-18(15)17(11-5-2-3-6-13(11)25-14)21(26)28-16-10-9-12(22)19(23)20(16)24/h2-10,17,25H,1H3.
What are the key properties of (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate?
(2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate has a molecular weight of 385.34 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluorophenyl) 1-methoxy-9,10-dihydroacridine-9-carboxylate is sourced from PubChem (CID 67553915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).