6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one

C13H12ClNO — CID 2870225

IUPAC6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C13H12ClNO/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h5-7H,1-4H2,(H,15,16)
InChIKeyHIIMAULBOMFTFN-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.06
Rot. Bonds

About 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one

6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 2870225) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID2870225
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C13H12ClNO/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h5-7H,1-4H2,(H,15,16)
InChIKeyHIIMAULBOMFTFN-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Chlorokynurenic acid
CID 1884
Acridone
CID 2015
7-Chloro-4-hydroxyquinoline
CID 66593
2-Phenyl-4-oxohydroquinoline
CID 161091
2-Methylquinolin-4-ol
CID 69089
2-(Methylamino)-5-chlorobenzophenone
CID 13925
1,2,3,4-Tetrahydroacridone
CID 95996
6-Chloro-4-quinolinol
CID 220929
2,3-Dimethylquinolin-4-OL
CID 237396
7-Chloro-3-[2,4-dichlorophenyl]-3,4-dihydro-1,9(2H,10H)-acridinedione
CID 633805
7-chloro-1,2,3,4-tetrahydroacridin-9(10H)-one
CID 13999807
11H-Cyclohepta(b)quinolin-11-one, 5,6,7,8,9,10-hexahydro-
CID 21282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 2870225) is 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is HIIMAULBOMFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h5-7H,1-4H2,(H,15,16).
What are the key properties of 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 233.70 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 2870225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).