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

C20H14Cl3NO2 — CID 10454044

IUPAC7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESCC1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl3NO2/c1-9-13(12-4-2-11(22)7-15(12)23)8-17-18(19(9)25)20(26)14-6-10(21)3-5-16(14)24-17/h2-7,9,13H,8H2,1H3,(H,24,26)
InChIKeyMGDOHBDZYQVUPU-UHFFFAOYSA-N
MW406.70 g/mol
LogP5.65
Rot. Bonds1

About 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione

7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione (PubChem CID 10454044) has the molecular formula C20H14Cl3NO2 and a molecular weight of 406.70 g/mol. Its IUPAC name is 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione.

Molecular Properties

Compound Name7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione
PubChem CID10454044
Molecular FormulaC20H14Cl3NO2
Molecular Weight406.70 g/mol
Exact Mass405.01
IUPAC Name7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESCC1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl3NO2/c1-9-13(12-4-2-11(22)7-15(12)23)8-17-18(19(9)25)20(26)14-6-10(21)3-5-16(14)24-17/h2-7,9,13H,8H2,1H3,(H,24,26)
InChIKeyMGDOHBDZYQVUPU-UHFFFAOYSA-N
XLogP5.65
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione?
The IUPAC name of 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione (CID 10454044) is 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione.
What is the SMILES notation for 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione?
The canonical SMILES for 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione is CC1C(=O)c2c([nH]c3ccc(Cl)cc3c2=O)CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione?
The InChIKey is MGDOHBDZYQVUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3NO2/c1-9-13(12-4-2-11(22)7-15(12)23)8-17-18(19(9)25)20(26)14-6-10(21)3-5-16(14)24-17/h2-7,9,13H,8H2,1H3,(H,24,26).
What are the key properties of 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione?
7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione has a molecular weight of 406.70 g/mol, XLogP of 5.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione is sourced from PubChem (CID 10454044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).