2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

C20H16Cl2N2O4 — CID 70946839

IUPAC2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESCCN1C(=O)c2c(C)c(C)c3c4c(c(Cl)c(Cl)c(c24)C1=O)C(=O)N(CC)C3=O
InChIInChI=1S/C20H16Cl2N2O4/c1-5-23-17(25)9-7(3)8(4)10-12-11(9)13(19(23)27)15(21)16(22)14(12)20(28)24(6-2)18(10)26/h5-6H2,1-4H3
InChIKeyJITHKAJFZUGSGB-UHFFFAOYSA-N
MW419.26 g/mol
LogP4.00
Rot. Bonds2

About 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (PubChem CID 70946839) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
PubChem CID70946839
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC Name2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
SMILESCCN1C(=O)c2c(C)c(C)c3c4c(c(Cl)c(Cl)c(c24)C1=O)C(=O)N(CC)C3=O
InChIInChI=1S/C20H16Cl2N2O4/c1-5-23-17(25)9-7(3)8(4)10-12-11(9)13(19(23)27)15(21)16(22)14(12)20(28)24(6-2)18(10)26/h5-6H2,1-4H3
InChIKeyJITHKAJFZUGSGB-UHFFFAOYSA-N
XLogP4.00
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone (CID 70946839) is 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is CCN1C(=O)c2c(C)c(C)c3c4c(c(Cl)c(Cl)c(c24)C1=O)C(=O)N(CC)C3=O.
What is the InChIKey of 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
The InChIKey is JITHKAJFZUGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c1-5-23-17(25)9-7(3)8(4)10-12-11(9)13(19(23)27)15(21)16(22)14(12)20(28)24(6-2)18(10)26/h5-6H2,1-4H3.
What are the key properties of 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone?
2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone has a molecular weight of 419.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 70946839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).