[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate

C19H12F3NO3 — CID 24572580

IUPAC[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCc1nc2cc(F)ccc2cc1C(=O)OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H12F3NO3/c1-10-15(6-11-2-3-13(21)8-17(11)23-10)19(25)26-9-18(24)14-5-4-12(20)7-16(14)22/h2-8H,9H2,1H3
InChIKeyKXZHLEVSPQMUOL-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.00
Rot. Bonds4

About [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate

[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate (PubChem CID 24572580) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
PubChem CID24572580
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
SMILESCc1nc2cc(F)ccc2cc1C(=O)OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H12F3NO3/c1-10-15(6-11-2-3-13(21)8-17(11)23-10)19(25)26-9-18(24)14-5-4-12(20)7-16(14)22/h2-8H,9H2,1H3
InChIKeyKXZHLEVSPQMUOL-UHFFFAOYSA-N
XLogP4.00
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46509531
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 30343934
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 18128509
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 17448025
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757641
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 24558728
ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 24572577
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 46696939
[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 24620693
[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24518985

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate (CID 24572580) is [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate is Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
The InChIKey is KXZHLEVSPQMUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3/c1-10-15(6-11-2-3-13(21)8-17(11)23-10)19(25)26-9-18(24)14-5-4-12(20)7-16(14)22/h2-8H,9H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate?
[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate has a molecular weight of 359.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 24572580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).