[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

C21H18N2O5 — CID 24686819

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C21H18N2O5/c1-12(24)14-6-5-7-15(10-14)22-20(26)13(2)28-21(27)17-11-19(25)23-18-9-4-3-8-16(17)18/h3-11,13H,1-2H3,(H,22,26)(H,23,25)
InChIKeyPTRAVNDCFRHDQE-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.91
Rot. Bonds5

About [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 24686819) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID24686819
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C21H18N2O5/c1-12(24)14-6-5-7-15(10-14)22-20(26)13(2)28-21(27)17-11-19(25)23-18-9-4-3-8-16(17)18/h3-11,13H,1-2H3,(H,22,26)(H,23,25)
InChIKeyPTRAVNDCFRHDQE-UHFFFAOYSA-N
XLogP2.91
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
CID 24883486
4-Ethoxycarbonyl-2-quinolone
CID 160782
Phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate
CID 11632008
Dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
CID 2932469
phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
Ethyl 3-(3-phenylpropanoylamino)benzoate
CID 670777
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
2-(4-Methylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 955509
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-(4-Acetylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2386868
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 2388958

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (CID 24686819) is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is CC(=O)c1cccc(NC(=O)C(C)OC(=O)c2cc(=O)[nH]c3ccccc23)c1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is PTRAVNDCFRHDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-12(24)14-6-5-7-15(10-14)22-20(26)13(2)28-21(27)17-11-19(25)23-18-9-4-3-8-16(17)18/h3-11,13H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 24686819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).