15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide

C23H29Br2N5O4 — CID 10077287

IUPAC15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide
SMILESBr.Br.CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc(O)cc4c(=O)c1c23
InChIInChI=1S/C23H27N5O4.2BrH/c1-25(2)10-9-24-17-7-6-15-20-19(17)21(30)16-13-14(29)5-8-18(16)28(20)23(32)27(22(15)31)12-11-26(3)4;;/h5-8,13,24,29H,9-12H2,1-4H3;2*1H
InChIKeyXMHSUGMANMQOGD-UHFFFAOYSA-N
MW599.32 g/mol
LogP1.96
Rot. Bonds7

About 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide

15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide (PubChem CID 10077287) has the molecular formula C23H29Br2N5O4 and a molecular weight of 599.32 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide.

Molecular Properties

Compound Name15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide
PubChem CID10077287
Molecular FormulaC23H29Br2N5O4
Molecular Weight599.32 g/mol
Exact Mass597.06
IUPAC Name15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide
SMILESBr.Br.CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc(O)cc4c(=O)c1c23
InChIInChI=1S/C23H27N5O4.2BrH/c1-25(2)10-9-24-17-7-6-15-20-19(17)21(30)16-13-14(29)5-8-18(16)28(20)23(32)27(22(15)31)12-11-26(3)4;;/h5-8,13,24,29H,9-12H2,1-4H3;2*1H
InChIKeyXMHSUGMANMQOGD-UHFFFAOYSA-N
XLogP1.96
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide?
The IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide (CID 10077287) is 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide.
What is the SMILES notation for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide?
The canonical SMILES for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide is Br.Br.CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc(O)cc4c(=O)c1c23.
What is the InChIKey of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide?
The InChIKey is XMHSUGMANMQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4.2BrH/c1-25(2)10-9-24-17-7-6-15-20-19(17)21(30)16-13-14(29)5-8-18(16)28(20)23(32)27(22(15)31)12-11-26(3)4;;/h5-8,13,24,29H,9-12H2,1-4H3;2*1H.
What are the key properties of 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide?
15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide has a molecular weight of 599.32 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;dihydrobromide is sourced from PubChem (CID 10077287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).