14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide

C43H51N11O4 — CID 135440491

About 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide

14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide (PubChem CID 135440491) has the molecular formula C43H51N11O4 and a molecular weight of 785.95 g/mol. Its IUPAC name is 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide.

Molecular Properties

• Compound Name: 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
• PubChem CID: 135440491
• Molecular Formula: C43H51N11O4
• Molecular Weight: 785.95 g/mol
• Exact Mass: 785.41
• IUPAC Name: 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide
• SMILES: COc1ccc2c(c1)-c1nn(CCN(C)C)c3ccc(C(=O)NCCN(C)CCNC(=O)c4ccc5c6c(nn5CCN(C)C)-c5cc(OC)ccc5Nc46)c(c13)N2
• InChI: InChI=1S/C43H51N11O4/c1-50(2)20-22-53-34-14-10-28(38-36(34)40(48-53)30-24-26(57-6)8-12-32(30)46-38)42(55)44-16-18-52(5)19-17-45-43(56)29-11-15-35-37-39(29)47-33-13-9-27(58-7)25-31(33)41(37)49-54(35)23-21-51(3)4/h8-15,24-25,46-47H,16-23H2,1-7H3,(H,44,55)(H,45,56)
• InChIKey: ODMUXRLPXPHKQV-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 146.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.95
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?

The IUPAC name of 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide (CID 135440491) is 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide.

What is the SMILES notation for 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?

The canonical SMILES for 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide is COc1ccc2c(c1)-c1nn(CCN(C)C)c3ccc(C(=O)NCCN(C)CCNC(=O)c4ccc5c6c(nn5CCN(C)C)-c5cc(OC)ccc5Nc46)c(c13)N2.

What is the InChIKey of 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?

The InChIKey is ODMUXRLPXPHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51N11O4/c1-50(2)20-22-53-34-14-10-28(38-36(34)40(48-53)30-24-26(57-6)8-12-32(30)46-38)42(55)44-16-18-52(5)19-17-45-43(56)29-11-15-35-37-39(29)47-33-13-9-27(58-7)25-31(33)41(37)49-54(35)23-21-51(3)4/h8-15,24-25,46-47H,16-23H2,1-7H3,(H,44,55)(H,45,56).

What are the key properties of 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide?

14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide has a molecular weight of 785.95 g/mol, XLogP of 5.07, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[2-(dimethylamino)ethyl]-N-[2-[2-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]ethyl-methylamino]ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide is sourced from PubChem (CID 135440491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).