[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate

C18H13FN2O3 — CID 2428739

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O3/c19-13-6-8-14(9-7-13)20-17(22)11-24-18(23)16-10-5-12-3-1-2-4-15(12)21-16/h1-10H,11H2,(H,20,22)
InChIKeyQBGJSLDLOYHSFL-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.17
Rot. Bonds4

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

[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2428739) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2428739
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O3/c19-13-6-8-14(9-7-13)20-17(22)11-24-18(23)16-10-5-12-3-1-2-4-15(12)21-16/h1-10H,11H2,(H,20,22)
InChIKeyQBGJSLDLOYHSFL-UHFFFAOYSA-N
XLogP3.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2466704
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 2388111
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
CID 3355066
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2391802
[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-[2-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 4010843
[2-(4-fluoroanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823440
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 3481111
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] quinoline-2-carboxylate
CID 7813108
[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate (CID 2428739) is [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is QBGJSLDLOYHSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-13-6-8-14(9-7-13)20-17(22)11-24-18(23)16-10-5-12-3-1-2-4-15(12)21-16/h1-10H,11H2,(H,20,22).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 324.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2428739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).