11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one

C26H32N4O5 — CID 162672551

About 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one

11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one (PubChem CID 162672551) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one.

Molecular Properties

• Compound Name: 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one
• PubChem CID: 162672551
• Molecular Formula: C26H32N4O5
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.24
• IUPAC Name: 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one
• SMILES: COc1cc2c(cc1OC)n(CCN(C)C)c(=O)c1c3cc4c(cc3n(CCN(C)C)c21)OCO4
• InChI: InChI=1S/C26H32N4O5/c1-27(2)7-9-29-18-14-23-22(34-15-35-23)11-16(18)24-25(29)17-12-20(32-5)21(33-6)13-19(17)30(26(24)31)10-8-28(3)4/h11-14H,7-10,15H2,1-6H3
• InChIKey: KSFAAHTVRBLXOE-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 70.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one?

The IUPAC name of 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one (CID 162672551) is 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one.

What is the SMILES notation for 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one?

The canonical SMILES for 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one is COc1cc2c(cc1OC)n(CCN(C)C)c(=O)c1c3cc4c(cc3n(CCN(C)C)c21)OCO4.

What is the InChIKey of 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one?

The InChIKey is KSFAAHTVRBLXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-27(2)7-9-29-18-14-23-22(34-15-35-23)11-16(18)24-25(29)17-12-20(32-5)21(33-6)13-19(17)30(26(24)31)10-8-28(3)4/h11-14H,7-10,15H2,1-6H3.

What are the key properties of 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one?

11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one has a molecular weight of 480.57 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one is sourced from PubChem (CID 162672551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).