10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

C41H44N8O5 — CID 161390564

About 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (PubChem CID 161390564) has the molecular formula C41H44N8O5 and a molecular weight of 728.85 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.

Molecular Properties

• Compound Name: 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
• PubChem CID: 161390564
• Molecular Formula: C41H44N8O5
• Molecular Weight: 728.85 g/mol
• Exact Mass: 728.34
• IUPAC Name: 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
• SMILES: CCN(CC)CCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23.O=c1c2cc(O)ccc2n2cnc3ccc(NCCN4CCOCC4)c1c32
• InChI: InChI=1S/C21H24N4O2.C20H20N4O3/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(26)15-12-14(27-3)6-9-18(15)25(20)13-23-17;25-13-1-4-17-14(11-13)20(26)18-15(2-3-16-19(18)24(17)12-22-16)21-5-6-23-7-9-27-10-8-23/h6-9,12-13,22H,4-5,10-11H2,1-3H3;1-4,11-12,21,25H,5-10H2
• InChIKey: VSXXKEMQOVKLOE-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 137.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	728.85
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?

The IUPAC name of 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (CID 161390564) is 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.

What is the SMILES notation for 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?

The canonical SMILES for 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is CCN(CC)CCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23.O=c1c2cc(O)ccc2n2cnc3ccc(NCCN4CCOCC4)c1c32.

What is the InChIKey of 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?

The InChIKey is VSXXKEMQOVKLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.C20H20N4O3/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(26)15-12-14(27-3)6-9-18(15)25(20)13-23-17;25-13-1-4-17-14(11-13)20(26)18-15(2-3-16-19(18)24(17)12-22-16)21-5-6-23-7-9-27-10-8-23/h6-9,12-13,22H,4-5,10-11H2,1-3H3;1-4,11-12,21,25H,5-10H2.

What are the key properties of 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?

10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one has a molecular weight of 728.85 g/mol, XLogP of 5.09, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-(diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is sourced from PubChem (CID 161390564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).