methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate

C40H24N4O6 — CID 134515534

About methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate

methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate (PubChem CID 134515534) has the molecular formula C40H24N4O6 and a molecular weight of 656.65 g/mol. Its IUPAC name is methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate.

Molecular Properties

• Compound Name: methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate
• PubChem CID: 134515534
• Molecular Formula: C40H24N4O6
• Molecular Weight: 656.65 g/mol
• Exact Mass: 656.17
• IUPAC Name: methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate
• SMILES: COC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OCc5cccc6c5c5ccnc7c8ccccc8c(=O)n6c57)ccc4c(n1)c23
• InChI: InChI=1S/C40H24N4O6/c1-48-37-30(15-14-24-32(37)39(46)43-28-12-6-5-9-21(28)26-18-27(40(47)49-2)42-34(24)36(26)43)50-19-20-8-7-13-29-31(20)25-16-17-41-33-22-10-3-4-11-23(22)38(45)44(29)35(25)33/h3-18H,19H2,1-2H3
• InChIKey: SNSNSCUIXYYJJS-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 113.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.65
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate?

The IUPAC name of methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate (CID 134515534) is methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate.

What is the SMILES notation for methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate?

The canonical SMILES for methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate is COC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OCc5cccc6c5c5ccnc7c8ccccc8c(=O)n6c57)ccc4c(n1)c23.

What is the InChIKey of methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate?

The InChIKey is SNSNSCUIXYYJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O6/c1-48-37-30(15-14-24-32(37)39(46)43-28-12-6-5-9-21(28)26-18-27(40(47)49-2)42-34(24)36(26)43)50-19-20-8-7-13-29-31(20)25-16-17-41-33-22-10-3-4-11-23(22)38(45)44(29)35(25)33/h3-18H,19H2,1-2H3.

What are the key properties of methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate?

methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate has a molecular weight of 656.65 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 17-methoxy-19-oxo-16-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-6-yl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13(18),14,16-nonaene-10-carboxylate is sourced from PubChem (CID 134515534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).