2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C18H12Br2N2O4 — CID 59861072

IUPAC2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESCCN1C(=O)c2cc(Br)c3c4c(c(Br)cc(c24)C1=O)C(=O)N(CC)C3=O
InChIInChI=1S/C18H12Br2N2O4/c1-3-21-15(23)7-5-9(19)12-14-11(7)8(16(21)24)6-10(20)13(14)18(26)22(4-2)17(12)25/h5-6H,3-4H2,1-2H3
InChIKeyZKNOXEKHAADSIE-UHFFFAOYSA-N
MW480.11 g/mol
LogP3.60
Rot. Bonds2

About 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 59861072) has the molecular formula C18H12Br2N2O4 and a molecular weight of 480.11 g/mol. Its IUPAC name is 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
PubChem CID59861072
Molecular FormulaC18H12Br2N2O4
Molecular Weight480.11 g/mol
Exact Mass477.92
IUPAC Name2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESCCN1C(=O)c2cc(Br)c3c4c(c(Br)cc(c24)C1=O)C(=O)N(CC)C3=O
InChIInChI=1S/C18H12Br2N2O4/c1-3-21-15(23)7-5-9(19)12-14-11(7)8(16(21)24)6-10(20)13(14)18(26)22(4-2)17(12)25/h5-6H,3-4H2,1-2H3
InChIKeyZKNOXEKHAADSIE-UHFFFAOYSA-N
XLogP3.60
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 59861072) is 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is CCN1C(=O)c2cc(Br)c3c4c(c(Br)cc(c24)C1=O)C(=O)N(CC)C3=O.
What is the InChIKey of 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The InChIKey is ZKNOXEKHAADSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N2O4/c1-3-21-15(23)7-5-9(19)12-14-11(7)8(16(21)24)6-10(20)13(14)18(26)22(4-2)17(12)25/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 480.11 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromo-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 59861072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).