6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione

C19H12Cl3NO2 — CID 613127

IUPAC6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C19H12Cl3NO2/c20-10-1-3-12(14(22)7-10)9-5-16-18(17(24)6-9)19(25)13-4-2-11(21)8-15(13)23-16/h1-4,7-9H,5-6H2,(H,23,25)
InChIKeyCNWMKSDNKYKWRI-UHFFFAOYSA-N
MW392.67 g/mol
LogP5.40
Rot. Bonds1

About 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione

6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione (PubChem CID 613127) has the molecular formula C19H12Cl3NO2 and a molecular weight of 392.67 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione.

Molecular Properties

Compound Name6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
PubChem CID613127
Molecular FormulaC19H12Cl3NO2
Molecular Weight392.67 g/mol
Exact Mass390.99
IUPAC Name6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C19H12Cl3NO2/c20-10-1-3-12(14(22)7-10)9-5-16-18(17(24)6-9)19(25)13-4-2-11(21)8-15(13)23-16/h1-4,7-9H,5-6H2,(H,23,25)
InChIKeyCNWMKSDNKYKWRI-UHFFFAOYSA-N
XLogP5.40
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
The IUPAC name of 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione (CID 613127) is 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione.
What is the SMILES notation for 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
The canonical SMILES for 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione is O=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21.
What is the InChIKey of 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
The InChIKey is CNWMKSDNKYKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3NO2/c20-10-1-3-12(14(22)7-10)9-5-16-18(17(24)6-9)19(25)13-4-2-11(21)8-15(13)23-16/h1-4,7-9H,5-6H2,(H,23,25).
What are the key properties of 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione has a molecular weight of 392.67 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione is sourced from PubChem (CID 613127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).