methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate

C18H17NO6 — CID 10871630

IUPACmethyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)C2(c3ccccc3)OC=CC(C)N2C1=O
InChIInChI=1S/C18H17NO6/c1-11-9-10-25-18(12-7-5-4-6-8-12)15(20)14(23-2)13(17(22)24-3)16(21)19(11)18/h4-11H,1-3H3
InChIKeyOJBUDVVCCFHMDL-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.26
Rot. Bonds3

About methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate

methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate (PubChem CID 10871630) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate
PubChem CID10871630
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Namemethyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)C2(c3ccccc3)OC=CC(C)N2C1=O
InChIInChI=1S/C18H17NO6/c1-11-9-10-25-18(12-7-5-4-6-8-12)15(20)14(23-2)13(17(22)24-3)16(21)19(11)18/h4-11H,1-3H3
InChIKeyOJBUDVVCCFHMDL-UHFFFAOYSA-N
XLogP1.26
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-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

Benzyl 1-benzyl-2-(1-ethoxy-1-oxobutan-2-yl)-6-oxo-2,3-dihydropyridine-5-carboxylate
CID 12000454
Dimethyl 1-cyclohexyl-2-hydroxy-5-oxo-2-phenylpyrrole-3,4-dicarboxylate
CID 101859308
Bz-DL-Ala-CO2Bzl
CID 131719092
Ethyl 2-(4,5-dioxo-2-phenyl-3-prop-2-enyl-1,3-oxazolidin-2-yl)prop-2-enoate
CID 10245155
methyl 6-acetyloxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
CID 10958546
methyl 6-hydroxy-4-methoxy-2,5-dioxo-6-phenyl-1H-pyridine-3-carboxylate
CID 11000794
[3-[Di(propan-2-yl)amino]-2,3-dioxopropyl] benzoate
CID 11460514
6-O-benzyl 1-O-ethyl (E,4S)-4-[benzyl-[(E)-4-oxo-4-phenylbut-2-enoyl]amino]hex-2-enedioate
CID 12102973
Ethyl 2,4-dimethoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
CID 13408031
Ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
CID 54706217
Ethyl 1-ethyl-4-hydroxy-2-methoxy-5-oxo-2-phenylpyrrole-3-carboxylate
CID 54706218
Ethyl 4-hydroxy-2-methoxy-5-oxo-2-phenyl-1-propan-2-ylpyrrole-3-carboxylate
CID 54706219

Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate?
The IUPAC name of methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate (CID 10871630) is methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate.
What is the SMILES notation for methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate?
The canonical SMILES for methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate is COC(=O)C1=C(OC)C(=O)C2(c3ccccc3)OC=CC(C)N2C1=O.
What is the InChIKey of methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate?
The InChIKey is OJBUDVVCCFHMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-11-9-10-25-18(12-7-5-4-6-8-12)15(20)14(23-2)13(17(22)24-3)16(21)19(11)18/h4-11H,1-3H3.
What are the key properties of methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate?
methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-4-methyl-6,9-dioxo-9a-phenyl-4H-pyrido[2,1-b][1,3]oxazine-7-carboxylate is sourced from PubChem (CID 10871630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).