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

C18H13FN2O4 — CID 7504276

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)Nc1ccccc1F
InChIInChI=1S/C18H13FN2O4/c19-12-6-2-4-8-14(12)21-17(23)10-25-18(24)15-9-16(22)11-5-1-3-7-13(11)20-15/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyUUVSVFVKTSHCPR-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.46
Rot. Bonds4

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

[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7504276) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7504276
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)Nc1ccccc1F
InChIInChI=1S/C18H13FN2O4/c19-12-6-2-4-8-14(12)21-17(23)10-25-18(24)15-9-16(22)11-5-1-3-7-13(11)20-15/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyUUVSVFVKTSHCPR-UHFFFAOYSA-N
XLogP2.46
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504222
[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507048
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504252
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504284
[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507078
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507750
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530760
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413178
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507105

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (CID 7504276) is [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is UUVSVFVKTSHCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4/c19-12-6-2-4-8-14(12)21-17(23)10-25-18(24)15-9-16(22)11-5-1-3-7-13(11)20-15/h1-9H,10H2,(H,20,22)(H,21,23).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 340.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7504276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).