[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C18H12ClFN2O4 — CID 2573552

IUPAC[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H12ClFN2O4/c19-13-7-10(5-6-14(13)20)21-17(24)9-26-18(25)12-8-16(23)22-15-4-2-1-3-11(12)15/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyMTDSFAHBGIQDIE-UHFFFAOYSA-N
MW374.76 g/mol
LogP3.12
Rot. Bonds4

About [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2573552) has the molecular formula C18H12ClFN2O4 and a molecular weight of 374.76 g/mol. Its IUPAC name is [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2573552
Molecular FormulaC18H12ClFN2O4
Molecular Weight374.76 g/mol
Exact Mass374.05
IUPAC Name[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H12ClFN2O4/c19-13-7-10(5-6-14(13)20)21-17(24)9-26-18(25)12-8-16(23)22-15-4-2-1-3-11(12)15/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyMTDSFAHBGIQDIE-UHFFFAOYSA-N
XLogP3.12
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413178
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
[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
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2389396
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573453
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate
CID 2350542
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] anthracene-9-carboxylate
CID 7786622
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542838
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2573552) is [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is MTDSFAHBGIQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O4/c19-13-7-10(5-6-14(13)20)21-17(24)9-26-18(25)12-8-16(23)22-15-4-2-1-3-11(12)15/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 374.76 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2573552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).