5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione

C19H11Cl4NO2 — CID 620149

IUPAC5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c21
InChIInChI=1S/C19H11Cl4NO2/c20-9-1-2-10(13(23)7-9)8-5-14-17(15(25)6-8)19(26)16-11(21)3-4-12(22)18(16)24-14/h1-4,7-8H,5-6H2,(H,24,26)
InChIKeyHYVLFMMPQDWTLH-UHFFFAOYSA-N
MW427.11 g/mol
LogP6.05
Rot. Bonds1

About 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione

5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione (PubChem CID 620149) has the molecular formula C19H11Cl4NO2 and a molecular weight of 427.11 g/mol. Its IUPAC name is 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione.

Molecular Properties

Compound Name5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
PubChem CID620149
Molecular FormulaC19H11Cl4NO2
Molecular Weight427.11 g/mol
Exact Mass424.95
IUPAC Name5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c21
InChIInChI=1S/C19H11Cl4NO2/c20-9-1-2-10(13(23)7-9)8-5-14-17(15(25)6-8)19(26)16-11(21)3-4-12(22)18(16)24-14/h1-4,7-8H,5-6H2,(H,24,26)
InChIKeyHYVLFMMPQDWTLH-UHFFFAOYSA-N
XLogP6.05
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.11
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
The IUPAC name of 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione (CID 620149) is 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione.
What is the SMILES notation for 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
The canonical SMILES for 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione is O=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c21.
What is the InChIKey of 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
The InChIKey is HYVLFMMPQDWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4NO2/c20-9-1-2-10(13(23)7-9)8-5-14-17(15(25)6-8)19(26)16-11(21)3-4-12(22)18(16)24-14/h1-4,7-8H,5-6H2,(H,24,26).
What are the key properties of 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione?
5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione has a molecular weight of 427.11 g/mol, XLogP of 6.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione is sourced from PubChem (CID 620149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).