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

C19H14F2N2O4 — CID 2388111

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2N2O4/c20-19(21)27-14-8-6-13(7-9-14)22-17(24)11-26-18(25)16-10-5-12-3-1-2-4-15(12)23-16/h1-10,19H,11H2,(H,22,24)
InChIKeyRXUSOSXMRHZYCV-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.63
Rot. Bonds6

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

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2388111) has the molecular formula C19H14F2N2O4 and a molecular weight of 372.33 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2388111
Molecular FormulaC19H14F2N2O4
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2N2O4/c20-19(21)27-14-8-6-13(7-9-14)22-17(24)11-26-18(25)16-10-5-12-3-1-2-4-15(12)23-16/h1-10,19H,11H2,(H,22,24)
InChIKeyRXUSOSXMRHZYCV-UHFFFAOYSA-N
XLogP3.63
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2428739
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 4010843
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
CID 3355066
[2-(3,4-difluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2466704
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 4226974
[2-(4-butoxycarbonylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7812667
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821313
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2428416
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534537
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] quinoline-2-carboxylate
CID 7813108

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate (CID 2388111) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is RXUSOSXMRHZYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4/c20-19(21)27-14-8-6-13(7-9-14)22-17(24)11-26-18(25)16-10-5-12-3-1-2-4-15(12)23-16/h1-10,19H,11H2,(H,22,24).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 372.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2388111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).