ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate

C23H18FNO3 — CID 24792645

IUPACethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cc1F
InChIInChI=1S/C23H18FNO3/c1-3-28-23(27)16-10-8-14(12-19(16)24)15-9-11-18-21(13-15)25(2)20-7-5-4-6-17(20)22(18)26/h4-13H,3H2,1-2H3
InChIKeyQLFVFCNHGQVBEQ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.67
Rot. Bonds3

About ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate

ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate (PubChem CID 24792645) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
PubChem CID24792645
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Nameethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cc1F
InChIInChI=1S/C23H18FNO3/c1-3-28-23(27)16-10-8-14(12-19(16)24)15-9-11-18-21(13-15)25(2)20-7-5-4-6-17(20)22(18)26/h4-13H,3H2,1-2H3
InChIKeyQLFVFCNHGQVBEQ-UHFFFAOYSA-N
XLogP4.67
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 43841999
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ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
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ethyl 4-(2,3-dichlorophenyl)-2-fluorobenzoate
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ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23826495
ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060569
10-methyl-2-phenylacridin-9-one
CID 18533849
3-(1,3-benzodioxol-5-yl)-10-methylacridin-9-one
CID 24818813
ethyl 2-fluoro-4-[(E)-(3-oxo-2-phenylisoindol-1-ylidene)methyl]benzoate
CID 25058244
ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
CID 164562201
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate?
The IUPAC name of ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate (CID 24792645) is ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate.
What is the SMILES notation for ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate?
The canonical SMILES for ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate is CCOC(=O)c1ccc(-c2ccc3c(=O)c4ccccc4n(C)c3c2)cc1F.
What is the InChIKey of ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate?
The InChIKey is QLFVFCNHGQVBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-3-28-23(27)16-10-8-14(12-19(16)24)15-9-11-18-21(13-15)25(2)20-7-5-4-6-17(20)22(18)26/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate?
ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate has a molecular weight of 375.40 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate is sourced from PubChem (CID 24792645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).