9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene

C26H19ClN4O3 — CID 71570362

About 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene

9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene (PubChem CID 71570362) has the molecular formula C26H19ClN4O3 and a molecular weight of 470.92 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene.

Molecular Properties

• Compound Name: 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene
• PubChem CID: 71570362
• Molecular Formula: C26H19ClN4O3
• Molecular Weight: 470.92 g/mol
• Exact Mass: 470.11
• IUPAC Name: 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene
• SMILES: COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(OC)ccc2C4c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C26H19ClN4O3/c1-32-18-9-5-16(6-10-18)24-29-25-23-22(15-3-7-17(27)8-4-15)20-12-11-19(33-2)13-21(20)34-26(23)28-14-31(25)30-24/h3-14,22H,1-2H3
• InChIKey: BPKMGFDLXUIPHZ-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 70.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.92
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?

The IUPAC name of 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene (CID 71570362) is 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene.

What is the SMILES notation for 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?

The canonical SMILES for 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene is COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(OC)ccc2C4c2ccc(Cl)cc2)cc1.

What is the InChIKey of 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?

The InChIKey is BPKMGFDLXUIPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O3/c1-32-18-9-5-16(6-10-18)24-29-25-23-22(15-3-7-17(27)8-4-15)20-12-11-19(33-2)13-21(20)34-26(23)28-14-31(25)30-24/h3-14,22H,1-2H3.

What are the key properties of 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene?

9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene has a molecular weight of 470.92 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-chlorophenyl)-5-methoxy-13-(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaene is sourced from PubChem (CID 71570362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).