6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione

C22H12ClNO2 — CID 138585225

IUPAC6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccc(Cl)cc1
InChIInChI=1S/C22H12ClNO2/c23-13-9-11-14(12-10-13)24-20-16-6-2-3-7-17(16)21(25)19(20)15-5-1-4-8-18(15)22(24)26/h1-12H
InChIKeyYTTQIBZATAVLDH-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.86
Rot. Bonds1

About 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione

6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 138585225) has the molecular formula C22H12ClNO2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID138585225
Molecular FormulaC22H12ClNO2
Molecular Weight357.80 g/mol
Exact Mass357.06
IUPAC Name6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccc(Cl)cc1
InChIInChI=1S/C22H12ClNO2/c23-13-9-11-14(12-10-13)24-20-16-6-2-3-7-17(16)21(25)19(20)15-5-1-4-8-18(15)22(24)26/h1-12H
InChIKeyYTTQIBZATAVLDH-UHFFFAOYSA-N
XLogP4.86
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione (CID 138585225) is 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is YTTQIBZATAVLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClNO2/c23-13-9-11-14(12-10-13)24-20-16-6-2-3-7-17(16)21(25)19(20)15-5-1-4-8-18(15)22(24)26/h1-12H.
What are the key properties of 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione?
6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 357.80 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 138585225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).