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

C22H18FNO2 — CID 174653249

IUPACbenzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate
SMILESCN1c2ccccc2C(C(=O)OCc2ccccc2)c2c(F)cccc21
InChIInChI=1S/C22H18FNO2/c1-24-18-12-6-5-10-16(18)20(21-17(23)11-7-13-19(21)24)22(25)26-14-15-8-3-2-4-9-15/h2-13,20H,14H2,1H3
InChIKeyDRRZZHKTKFRCRI-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.78
Rot. Bonds3

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

benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate (PubChem CID 174653249) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate.

Molecular Properties

Compound Namebenzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate
PubChem CID174653249
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Namebenzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate
SMILESCN1c2ccccc2C(C(=O)OCc2ccccc2)c2c(F)cccc21
InChIInChI=1S/C22H18FNO2/c1-24-18-12-6-5-10-16(18)20(21-17(23)11-7-13-19(21)24)22(25)26-14-15-8-3-2-4-9-15/h2-13,20H,14H2,1H3
InChIKeyDRRZZHKTKFRCRI-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
(3-fluoro-5-hydroxyphenyl) 10-methyl-9H-acridine-9-carboxylate
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2-[3-fluoro-2-(2-phenylmethoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-1-yl)phenoxy]acetic acid
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dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
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CID 169070000
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CID 121219236
benzyl 1,3,5-trimethyl-2,6-dioxo-1,3-diazinane-4-carboxylate
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CID 18664013
dibenzyl (2R,3S)-7,7-difluorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 102110796
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3-phenylmethoxycarbonyl-2,3-dihydro-1H-isoindole-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
The IUPAC name of benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate (CID 174653249) is benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate.
What is the SMILES notation for benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
The canonical SMILES for benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate is CN1c2ccccc2C(C(=O)OCc2ccccc2)c2c(F)cccc21.
What is the InChIKey of benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
The InChIKey is DRRZZHKTKFRCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-24-18-12-6-5-10-16(18)20(21-17(23)11-7-13-19(21)24)22(25)26-14-15-8-3-2-4-9-15/h2-13,20H,14H2,1H3.
What are the key properties of benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate?
benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate has a molecular weight of 347.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-fluoro-10-methyl-9H-acridine-9-carboxylate is sourced from PubChem (CID 174653249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).