[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

C20H15F2NO3 — CID 8825189

IUPAC[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C20H15F2NO3/c1-11-14-5-3-4-6-17(14)23-12(2)19(11)20(25)26-10-18(24)15-9-13(21)7-8-16(15)22/h3-9H,10H2,1-2H3
InChIKeyAJXIJUIOPDHEJG-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.17
Rot. Bonds4

About [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825189) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825189
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C20H15F2NO3/c1-11-14-5-3-4-6-17(14)23-12(2)19(11)20(25)26-10-18(24)15-9-13(21)7-8-16(15)22/h3-9H,10H2,1-2H3
InChIKeyAJXIJUIOPDHEJG-UHFFFAOYSA-N
XLogP4.17
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825006
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 18203251
(2-oxo-2-thiophen-2-ylethyl) 2,4-dimethylquinoline-3-carboxylate
CID 8825062
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825327
[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825429
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485322
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 24572233
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825438
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825008
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825162
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8536837
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933396

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (CID 8825189) is [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is AJXIJUIOPDHEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c1-11-14-5-3-4-6-17(14)23-12(2)19(11)20(25)26-10-18(24)15-9-13(21)7-8-16(15)22/h3-9H,10H2,1-2H3.
What are the key properties of [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 355.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).