[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C19H14F2N2O5 — CID 2387654

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H14F2N2O5/c20-19(21)28-15-8-4-3-7-14(15)23-17(25)10-27-18(26)12-9-16(24)22-13-6-2-1-5-11(12)13/h1-9,19H,10H2,(H,22,24)(H,23,25)
InChIKeyQYRAUBFHPLRIBY-UHFFFAOYSA-N
MW388.33 g/mol
LogP2.92
Rot. Bonds6

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2387654) has the molecular formula C19H14F2N2O5 and a molecular weight of 388.33 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2387654
Molecular FormulaC19H14F2N2O5
Molecular Weight388.33 g/mol
Exact Mass388.09
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H14F2N2O5/c20-19(21)28-15-8-4-3-7-14(15)23-17(25)10-27-18(26)12-9-16(24)22-13-6-2-1-5-11(12)13/h1-9,19H,10H2,(H,22,24)(H,23,25)
InChIKeyQYRAUBFHPLRIBY-UHFFFAOYSA-N
XLogP2.92
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-iodobenzoate
CID 2397956
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413178
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2373487
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228474
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573641
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573573
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7758358
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2387654) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is QYRAUBFHPLRIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O5/c20-19(21)28-15-8-4-3-7-14(15)23-17(25)10-27-18(26)12-9-16(24)22-13-6-2-1-5-11(12)13/h1-9,19H,10H2,(H,22,24)(H,23,25).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 388.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2387654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).