6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C36H28N4O8 — CID 160765942

IUPAC6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC)C3=O.CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC)C3=O
InChIInChI=1S/2C18H14N2O4/c2*1-3-19-15(21)9-5-7-11-14-12(18(24)20(4-2)17(11)23)8-6-10(13(9)14)16(19)22/h2*5-8H,3-4H2,1-2H3
InChIKeyRYRMHNWOODREOR-UHFFFAOYSA-N
MW644.64 g/mol
LogP4.14
Rot. Bonds4

About 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 160765942) has the molecular formula C36H28N4O8 and a molecular weight of 644.64 g/mol. Its IUPAC name is 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID160765942
Molecular FormulaC36H28N4O8
Molecular Weight644.64 g/mol
Exact Mass644.19
IUPAC Name6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC)C3=O.CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC)C3=O
InChIInChI=1S/2C18H14N2O4/c2*1-3-19-15(21)9-5-7-11-14-12(18(24)20(4-2)17(11)23)8-6-10(13(9)14)16(19)22/h2*5-8H,3-4H2,1-2H3
InChIKeyRYRMHNWOODREOR-UHFFFAOYSA-N
XLogP4.14
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.64
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-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

Related Compounds

13-ethyl-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58709206
6-ethyl-6-aza-13-azanidatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;yttrium
CID 58704992
7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;7-ethyl-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 159800215
ethanamine;13-ethyl-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 159800155
6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;methane;bis(N-methyl-N-phenylaniline)
CID 158691973
6-bromo-2-ethyl-7-nitrobenzo[de]isoquinoline-1,3-dione
CID 175028742
7,18-diethyl-11,26-di(piperidin-1-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3,5(25),9,11,13,15,20(24),21-decaene-6,8,17,19-tetrone
CID 102413910
triethyl-[2-[5,7,12,14-tetraoxo-13-[2-(triethylazaniumyl)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]ethyl]azanium
CID 101415047
2-ethyl-6-pyrrol-1-ylbenzo[de]isoquinoline-1,3-dione
CID 86085890
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
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
2-ethyl-1,3-dioxoisoindole-5-carbaldehyde
CID 58922228

Frequently Asked Questions

What is the IUPAC name of 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 160765942) is 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC)C3=O.CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC)C3=O.
What is the InChIKey of 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is RYRMHNWOODREOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N2O4/c2*1-3-19-15(21)9-5-7-11-14-12(18(24)20(4-2)17(11)23)8-6-10(13(9)14)16(19)22/h2*5-8H,3-4H2,1-2H3.
What are the key properties of 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 644.64 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 160765942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).