[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C23H17ClN2O4 — CID 2553264

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O4/c24-16-9-7-15(8-10-16)13-25-22(27)14-30-23(28)18-12-20(21-6-3-11-29-21)26-19-5-2-1-4-17(18)19/h1-12H,13-14H2,(H,25,27)
InChIKeyJADGLVYNRHIESM-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.62
Rot. Bonds6

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2553264) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2553264
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O4/c24-16-9-7-15(8-10-16)13-25-22(27)14-30-23(28)18-12-20(21-6-3-11-29-21)26-19-5-2-1-4-17(18)19/h1-12H,13-14H2,(H,25,27)
InChIKeyJADGLVYNRHIESM-UHFFFAOYSA-N
XLogP4.62
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2553264) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is JADGLVYNRHIESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c24-16-9-7-15(8-10-16)13-25-22(27)14-30-23(28)18-12-20(21-6-3-11-29-21)26-19-5-2-1-4-17(18)19/h1-12H,13-14H2,(H,25,27).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 420.85 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2553264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).