[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate

C18H14N2O4 — CID 51485480

IUPAC[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESNC(=O)[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H14N2O4/c19-17(22)16(11-6-2-1-3-7-11)24-18(23)13-10-15(21)20-14-9-5-4-8-12(13)14/h1-10,16H,(H2,19,22)(H,20,21)/t16-/m0/s1
InChIKeyFHXWHCUSTNRHJY-INIZCTEOSA-N
MW322.32 g/mol
LogP1.91
Rot. Bonds4

About [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate

[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 51485480) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID51485480
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESNC(=O)[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H14N2O4/c19-17(22)16(11-6-2-1-3-7-11)24-18(23)13-10-15(21)20-14-9-5-4-8-12(13)14/h1-10,16H,(H2,19,22)(H,20,21)/t16-/m0/s1
InChIKeyFHXWHCUSTNRHJY-INIZCTEOSA-N
XLogP1.91
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7542193
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 4638333
(1-anilino-1-oxopropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
CID 16529843
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901295
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 135720306
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761837
(2-amino-2-oxo-1-phenylethyl) 2,5-dimethylbenzoate
CID 42886743
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 26008623

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 51485480) is [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate is NC(=O)[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is FHXWHCUSTNRHJY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14N2O4/c19-17(22)16(11-6-2-1-3-7-11)24-18(23)13-10-15(21)20-14-9-5-4-8-12(13)14/h1-10,16H,(H2,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate?
[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 51485480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).