10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione

C33H30N6O6 — CID 53494896

About 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione

10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione (PubChem CID 53494896) has the molecular formula C33H30N6O6 and a molecular weight of 606.64 g/mol. Its IUPAC name is 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione.

Molecular Properties

• Compound Name: 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione
• PubChem CID: 53494896
• Molecular Formula: C33H30N6O6
• Molecular Weight: 606.64 g/mol
• Exact Mass: 606.22
• IUPAC Name: 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione
• SMILES: Cn1ccc2c3ccoc3c3c(c21)C(=O)N(CCNCCCNCCN1C(=O)c2c(c4c(ccn4C)c4ccoc24)C1=O)C3=O
• InChI: InChI=1S/C33H30N6O6/c1-36-12-4-18-20-6-16-44-28(20)24-22(26(18)36)30(40)38(32(24)42)14-10-34-8-3-9-35-11-15-39-31(41)23-25(33(39)43)29-21(7-17-45-29)19-5-13-37(2)27(19)23/h4-7,12-13,16-17,34-35H,3,8-11,14-15H2,1-2H3
• InChIKey: DQFFTXJHNMYVCX-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 134.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.64
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione?

The IUPAC name of 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione (CID 53494896) is 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione.

What is the SMILES notation for 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione?

The canonical SMILES for 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione is Cn1ccc2c3ccoc3c3c(c21)C(=O)N(CCNCCCNCCN1C(=O)c2c(c4c(ccn4C)c4ccoc24)C1=O)C3=O.

What is the InChIKey of 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione?

The InChIKey is DQFFTXJHNMYVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N6O6/c1-36-12-4-18-20-6-16-44-28(20)24-22(26(18)36)30(40)38(32(24)42)14-10-34-8-3-9-35-11-15-39-31(41)23-25(33(39)43)29-21(7-17-45-29)19-5-13-37(2)27(19)23/h4-7,12-13,16-17,34-35H,3,8-11,14-15H2,1-2H3.

What are the key properties of 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione?

10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione has a molecular weight of 606.64 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-14-[2-[3-[2-(10-methyl-13,15-dioxo-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaen-14-yl)ethylamino]propylamino]ethyl]-3-oxa-10,14-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11-pentaene-13,15-dione is sourced from PubChem (CID 53494896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).