ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate

C23H18FNO2 — CID 175227230

IUPACethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate
SMILESCCOC(=O)c1cc(C)c(F)c2nc3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C23H18FNO2/c1-3-27-23(26)17-13-14(2)21(24)22-20(17)19(15-9-5-4-6-10-15)16-11-7-8-12-18(16)25-22/h4-13H,3H2,1-2H3
InChIKeyQPGAPIMUWHFIMU-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.68
Rot. Bonds3

About ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate

ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate (PubChem CID 175227230) has the molecular formula C23H18FNO2 and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate
PubChem CID175227230
Molecular FormulaC23H18FNO2
Molecular Weight359.40 g/mol
Exact Mass359.13
IUPAC Nameethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate
SMILESCCOC(=O)c1cc(C)c(F)c2nc3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C23H18FNO2/c1-3-27-23(26)17-13-14(2)21(24)22-20(17)19(15-9-5-4-6-10-15)16-11-7-8-12-18(16)25-22/h4-13H,3H2,1-2H3
InChIKeyQPGAPIMUWHFIMU-UHFFFAOYSA-N
XLogP5.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 4-(9-phenylacridin-2-yl)benzoate
CID 132505000
ethyl 3-ethoxy-2-fluoro-5-hydroxy-4-phenylbenzoate
CID 90423909
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689284
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224634

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate?
The IUPAC name of ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate (CID 175227230) is ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate?
The canonical SMILES for ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate is CCOC(=O)c1cc(C)c(F)c2nc3ccccc3c(-c3ccccc3)c12.
What is the InChIKey of ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate?
The InChIKey is QPGAPIMUWHFIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2/c1-3-27-23(26)17-13-14(2)21(24)22-20(17)19(15-9-5-4-6-10-15)16-11-7-8-12-18(16)25-22/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate?
ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate has a molecular weight of 359.40 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate is sourced from PubChem (CID 175227230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).