methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate

C20H16FNO4 — CID 8603013

IUPACmethyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccccc2F)nc2ccccc2c1C
InChIInChI=1S/C20H16FNO4/c1-12-13-7-4-6-10-16(13)22-17(18(12)20(24)25-2)11-26-19(23)14-8-3-5-9-15(14)21/h3-10H,11H2,1-2H3
InChIKeyKPNQLHHOSIFNCO-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.83
Rot. Bonds4

About methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate

methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate (PubChem CID 8603013) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
PubChem CID8603013
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Namemethyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)c2ccccc2F)nc2ccccc2c1C
InChIInChI=1S/C20H16FNO4/c1-12-13-7-4-6-10-16(13)22-17(18(12)20(24)25-2)11-26-19(23)14-8-3-5-9-15(14)21/h3-10H,11H2,1-2H3
InChIKeyKPNQLHHOSIFNCO-UHFFFAOYSA-N
XLogP3.83
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
ethyl 2-[[2-(2-fluorophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8661348
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423
methyl 4-methyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 8925535
methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 24604370
(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate
CID 71887345
methyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 9128687
methyl 2-[[2-(2,4-dimethoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8520649
[2-(methylamino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18149529
(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 38080268
methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8667374

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate (CID 8603013) is methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate is COC(=O)c1c(COC(=O)c2ccccc2F)nc2ccccc2c1C.
What is the InChIKey of methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate?
The InChIKey is KPNQLHHOSIFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-12-13-7-4-6-10-16(13)22-17(18(12)20(24)25-2)11-26-19(23)14-8-3-5-9-15(14)21/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate?
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 8603013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).