6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

C20H11Cl2NO2 — CID 1039817

IUPAC6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(Cl)c(Cl)c1)CC3
InChIInChI=1S/C20H11Cl2NO2/c21-15-8-5-12(9-16(15)22)23-19(24)13-6-3-10-1-2-11-4-7-14(20(23)25)18(13)17(10)11/h3-9H,1-2H2
InChIKeyABQNKCNSRJTIQN-UHFFFAOYSA-N
MW368.22 g/mol
LogP5.05
Rot. Bonds1

About 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 1039817) has the molecular formula C20H11Cl2NO2 and a molecular weight of 368.22 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID1039817
Molecular FormulaC20H11Cl2NO2
Molecular Weight368.22 g/mol
Exact Mass367.02
IUPAC Name6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(Cl)c(Cl)c1)CC3
InChIInChI=1S/C20H11Cl2NO2/c21-15-8-5-12(9-16(15)22)23-19(24)13-6-3-10-1-2-11-4-7-14(20(23)25)18(13)17(10)11/h3-9H,1-2H2
InChIKeyABQNKCNSRJTIQN-UHFFFAOYSA-N
XLogP5.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.22
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The IUPAC name of 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 1039817) is 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The canonical SMILES for 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(Cl)c(Cl)c1)CC3.
What is the InChIKey of 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is ABQNKCNSRJTIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2NO2/c21-15-8-5-12(9-16(15)22)23-19(24)13-6-3-10-1-2-11-4-7-14(20(23)25)18(13)17(10)11/h3-9H,1-2H2.
What are the key properties of 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione has a molecular weight of 368.22 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is sourced from PubChem (CID 1039817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).