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

C19H15ClN2O4 — CID 2384771

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O4/c20-13-7-5-12(6-8-13)10-21-18(24)11-26-19(25)15-9-17(23)22-16-4-2-1-3-14(15)16/h1-9H,10-11H2,(H,21,24)(H,22,23)
InChIKeyQCFRRZOEHPSMGA-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.65
Rot. Bonds5

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

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2384771) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2384771
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O4/c20-13-7-5-12(6-8-13)10-21-18(24)11-26-19(25)15-9-17(23)22-16-4-2-1-3-14(15)16/h1-9H,10-11H2,(H,21,24)(H,22,23)
InChIKeyQCFRRZOEHPSMGA-UHFFFAOYSA-N
XLogP2.65
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2417566
(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yloxy)-acetic acid methyl ester
CID 10617376
2-(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yloxy)-acetamide
CID 10711401
[2-(2-Cyanoanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 16274502
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2087561
[2-(3,5-Dimethylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 2338785
2-[(2-Chlorophenyl)amino]-2-oxoethyl 3-(dimethylamino)benzoate
CID 2350074
[2-(cyclopentylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2434710
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2489658
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573575

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2384771) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is QCFRRZOEHPSMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c20-13-7-5-12(6-8-13)10-21-18(24)11-26-19(25)15-9-17(23)22-16-4-2-1-3-14(15)16/h1-9H,10-11H2,(H,21,24)(H,22,23).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2384771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).