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

C20H12ClNO2 — CID 3602141

IUPAC6-(2-chlorophenyl)-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)N1c1ccccc1Cl)CC3
InChIInChI=1S/C20H12ClNO2/c21-15-3-1-2-4-16(15)22-19(23)13-9-7-11-5-6-12-8-10-14(20(22)24)18(13)17(11)12/h1-4,7-10H,5-6H2
InChIKeyWRRFIMQUNVXAJU-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.39
Rot. Bonds1

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

6-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 3602141) has the molecular formula C20H12ClNO2 and a molecular weight of 333.77 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-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-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID3602141
Molecular FormulaC20H12ClNO2
Molecular Weight333.77 g/mol
Exact Mass333.06
IUPAC Name6-(2-chlorophenyl)-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)N1c1ccccc1Cl)CC3
InChIInChI=1S/C20H12ClNO2/c21-15-3-1-2-4-16(15)22-19(23)13-9-7-11-5-6-12-8-10-14(20(22)24)18(13)17(11)12/h1-4,7-10H,5-6H2
InChIKeyWRRFIMQUNVXAJU-UHFFFAOYSA-N
XLogP4.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.39
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-(2-chlorophenyl)-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-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 3602141) is 6-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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)N1c1ccccc1Cl)CC3.
What is the InChIKey of 6-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is WRRFIMQUNVXAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO2/c21-15-3-1-2-4-16(15)22-19(23)13-9-7-11-5-6-12-8-10-14(20(22)24)18(13)17(11)12/h1-4,7-10H,5-6H2.
What are the key properties of 6-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-(2-chlorophenyl)-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 333.77 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-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 3602141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).