7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione

C19H14ClNO2 — CID 23318729

IUPAC7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2ccccc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21
InChIInChI=1S/C19H14ClNO2/c20-13-6-7-15-14(10-13)19(23)18-16(21-15)8-12(9-17(18)22)11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H,21,23)
InChIKeyBYTWFPNOCPLVLE-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.09
Rot. Bonds1

About 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione

7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione (PubChem CID 23318729) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione.

Molecular Properties

Compound Name7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione
PubChem CID23318729
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2ccccc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21
InChIInChI=1S/C19H14ClNO2/c20-13-6-7-15-14(10-13)19(23)18-16(21-15)8-12(9-17(18)22)11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H,21,23)
InChIKeyBYTWFPNOCPLVLE-UHFFFAOYSA-N
XLogP4.09
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1E)-7-chloro-1-hydroxyimino-3-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridin-9-one
CID 135578239
7-chloro-1-[3-(dimethylamino)propylimino]-3-(4-methylphenyl)-2,3,4,10-tetrahydroacridin-9-one
CID 547631
7-chloro-3-(2,4-dichlorophenyl)-2-methyl-2,3,4,10-tetrahydroacridine-1,9-dione
CID 10454044
3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
CID 58028137
7-phenyl-1,6,7,8-tetrahydroquinoline-4,5-dione
CID 18317774
(6R,10R)-2-chloro-10-methyl-6-phenyl-6,7,9,10-tetrahydro-5H-cyclohepta[b]indol-8-one
CID 102287135
cyclopentyl (6R)-3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 866803
(7R)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 30033725
2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 4165022
5,8-dichloro-3-(2,4-dichlorophenyl)-2,3,4,10-tetrahydroacridine-1,9-dione
CID 620149
benzyl 6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 15989911
benzyl (6S)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 40645007

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione?
The IUPAC name of 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione (CID 23318729) is 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione.
What is the SMILES notation for 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione?
The canonical SMILES for 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione is O=C1CC(c2ccccc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21.
What is the InChIKey of 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione?
The InChIKey is BYTWFPNOCPLVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2/c20-13-6-7-15-14(10-13)19(23)18-16(21-15)8-12(9-17(18)22)11-4-2-1-3-5-11/h1-7,10,12H,8-9H2,(H,21,23).
What are the key properties of 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione?
7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione has a molecular weight of 323.78 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-phenyl-2,3,4,10-tetrahydroacridine-1,9-dione is sourced from PubChem (CID 23318729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).