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

C20H17ClN2O4 — CID 2573453

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O4/c21-14-7-5-13(6-8-14)9-10-22-19(25)12-27-20(26)16-11-18(24)23-17-4-2-1-3-15(16)17/h1-8,11H,9-10,12H2,(H,22,25)(H,23,24)
InChIKeyUOPBDHZYUFENET-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.70
Rot. Bonds6

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

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2573453) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2573453
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O4/c21-14-7-5-13(6-8-14)9-10-22-19(25)12-27-20(26)16-11-18(24)23-17-4-2-1-3-15(16)17/h1-8,11H,9-10,12H2,(H,22,25)(H,23,24)
InChIKeyUOPBDHZYUFENET-UHFFFAOYSA-N
XLogP2.70
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346196
[2-(3-methylbutylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573495
[2-oxo-2-(pentylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346342
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435196
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009331
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573552
[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-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761777
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2573453) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is UOPBDHZYUFENET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-14-7-5-13(6-8-14)9-10-22-19(25)12-27-20(26)16-11-18(24)23-17-4-2-1-3-15(16)17/h1-8,11H,9-10,12H2,(H,22,25)(H,23,24).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2573453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).