ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate

C19H21NO4 — CID 20567393

About ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate

ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate (PubChem CID 20567393) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate
• PubChem CID: 20567393
• Molecular Formula: C19H21NO4
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.15
• IUPAC Name: ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate
• SMILES: CCOC(=O)c1cn2c3c(cc(OC)cc3c1=O)C1CCCCC12
• InChI: InChI=1S/C19H21NO4/c1-3-24-19(22)15-10-20-16-7-5-4-6-12(16)13-8-11(23-2)9-14(17(13)20)18(15)21/h8-10,12,16H,3-7H2,1-2H3
• InChIKey: UYLOCFJTFJVPOW-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 57.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate?

The IUPAC name of ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate (CID 20567393) is ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate.

What is the SMILES notation for ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate?

The canonical SMILES for ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate is CCOC(=O)c1cn2c3c(cc(OC)cc3c1=O)C1CCCCC12.

What is the InChIKey of ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate?

The InChIKey is UYLOCFJTFJVPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-19(22)15-10-20-16-7-5-4-6-12(16)13-8-11(23-2)9-14(17(13)20)18(15)21/h8-10,12,16H,3-7H2,1-2H3.

What are the key properties of ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate?

ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate is sourced from PubChem (CID 20567393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).