ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate

C10H8N2O4 — CID 59298517

IUPACethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2cnccc2c(=O)o1
InChIInChI=1S/C10H8N2O4/c1-2-15-10(14)8-12-7-5-11-4-3-6(7)9(13)16-8/h3-5H,2H2,1H3
InChIKeyAKPLZDRUMYYGMH-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.76
Rot. Bonds2

About ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate

ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate (PubChem CID 59298517) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate
PubChem CID59298517
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Nameethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate
SMILESCCOC(=O)c1nc2cnccc2c(=O)o1
InChIInChI=1S/C10H8N2O4/c1-2-15-10(14)8-12-7-5-11-4-3-6(7)9(13)16-8/h3-5H,2H2,1H3
InChIKeyAKPLZDRUMYYGMH-UHFFFAOYSA-N
XLogP0.76
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate?
The IUPAC name of ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate (CID 59298517) is ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate?
The canonical SMILES for ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate is CCOC(=O)c1nc2cnccc2c(=O)o1.
What is the InChIKey of ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate?
The InChIKey is AKPLZDRUMYYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-2-15-10(14)8-12-7-5-11-4-3-6(7)9(13)16-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate?
ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate has a molecular weight of 220.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxopyrido[3,4-d][1,3]oxazine-2-carboxylate is sourced from PubChem (CID 59298517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).