ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate

C14H12N2O4 — CID 86737528

IUPACethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2n1-c1ccccc1OC2
InChIInChI=1S/C14H12N2O4/c1-2-19-14(18)10-7-13(17)15-12-8-20-11-6-4-3-5-9(11)16(10)12/h3-7H,2,8H2,1H3
InChIKeyKIDNJLWRYVWFBP-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.30
Rot. Bonds2

About ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate

ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate (PubChem CID 86737528) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate
PubChem CID86737528
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Nameethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate
SMILESCCOC(=O)c1cc(=O)nc2n1-c1ccccc1OC2
InChIInChI=1S/C14H12N2O4/c1-2-19-14(18)10-7-13(17)15-12-8-20-11-6-4-3-5-9(11)16(10)12/h3-7H,2,8H2,1H3
InChIKeyKIDNJLWRYVWFBP-UHFFFAOYSA-N
XLogP1.30
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 9-chloro-7-(2-chlorophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate
CID 15079786
4H-imidazo[2,1-c][1,4]benzoxazine-1-carboxylic acid
CID 12909287
ethyl 3-[2-(2-ethoxycarbonyl-4H-pyrazolo[5,1-c][1,4]benzoxazin-3-yl)phenyl]-4H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxylate
CID 56838618
2-ethoxycarbonyl-1-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-8-carboxylic acid
CID 12784567
ethyl 3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoate
CID 9228361
4-propanoyl-1,4-benzoxazin-3-one
CID 18325679
1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 24847216
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
CID 101012963
ethyl 3-amino-2H-1,4-benzoxazine-7-carboxylate
CID 12873422
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
CID 11436139
ethyl 2-cyclohexyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 54410384

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate?
The IUPAC name of ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate (CID 86737528) is ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate.
What is the SMILES notation for ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate?
The canonical SMILES for ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate is CCOC(=O)c1cc(=O)nc2n1-c1ccccc1OC2.
What is the InChIKey of ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate?
The InChIKey is KIDNJLWRYVWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-2-19-14(18)10-7-13(17)15-12-8-20-11-6-4-3-5-9(11)16(10)12/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate?
ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-5H-pyrimido[2,1-c][1,4]benzoxazine-1-carboxylate is sourced from PubChem (CID 86737528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).