[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

C17H11ClN2O5 — CID 55999322

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NC(=O)c1ccco1
InChIInChI=1S/C17H11ClN2O5/c18-14-6-4-10-8-11(3-5-12(10)19-14)17(23)25-9-15(21)20-16(22)13-2-1-7-24-13/h1-8H,9H2,(H,20,21,22)
InChIKeyGWLZXPBYENMVQZ-UHFFFAOYSA-N
MW358.74 g/mol
LogP2.59
Rot. Bonds4

About [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (PubChem CID 55999322) has the molecular formula C17H11ClN2O5 and a molecular weight of 358.74 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
PubChem CID55999322
Molecular FormulaC17H11ClN2O5
Molecular Weight358.74 g/mol
Exact Mass358.04
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NC(=O)c1ccco1
InChIInChI=1S/C17H11ClN2O5/c18-14-6-4-10-8-11(3-5-12(10)19-14)17(23)25-9-15(21)20-16(22)13-2-1-7-24-13/h1-8H,9H2,(H,20,21,22)
InChIKeyGWLZXPBYENMVQZ-UHFFFAOYSA-N
XLogP2.59
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730169
[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998119
[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
CID 55730349
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730289
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998914
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998781
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730099
cyanomethyl 2-chloroquinoline-6-carboxylate
CID 55730303
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24557600
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730259

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (CID 55999322) is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NC(=O)c1ccco1.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The InChIKey is GWLZXPBYENMVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O5/c18-14-6-4-10-8-11(3-5-12(10)19-14)17(23)25-9-15(21)20-16(22)13-2-1-7-24-13/h1-8H,9H2,(H,20,21,22).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate has a molecular weight of 358.74 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is sourced from PubChem (CID 55999322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).