ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate

C19H20N4O5 — CID 58346173

IUPACethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate
SMILESCCOC(=O)CC(=O)Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C19H20N4O5/c1-2-27-17(25)12-16(24)21-15-9-8-14-18(22-15)23(10-11-28-14)19(26)20-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,20,26)(H,21,22,24)
InChIKeyQFXYDKXNCWYQQT-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.40
Rot. Bonds5

About ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate

ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate (PubChem CID 58346173) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate
PubChem CID58346173
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Nameethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate
SMILESCCOC(=O)CC(=O)Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C19H20N4O5/c1-2-27-17(25)12-16(24)21-15-9-8-14-18(22-15)23(10-11-28-14)19(26)20-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,20,26)(H,21,22,24)
InChIKeyQFXYDKXNCWYQQT-UHFFFAOYSA-N
XLogP2.40
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate?
The IUPAC name of ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate (CID 58346173) is ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate?
The canonical SMILES for ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate is CCOC(=O)CC(=O)Nc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2.
What is the InChIKey of ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate?
The InChIKey is QFXYDKXNCWYQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-27-17(25)12-16(24)21-15-9-8-14-18(22-15)23(10-11-28-14)19(26)20-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3,(H,20,26)(H,21,22,24).
What are the key properties of ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate?
ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate has a molecular weight of 384.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-3-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]propanoate is sourced from PubChem (CID 58346173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).