6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one

C13H11Cl2NO — CID 53362376

IUPAC6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C13H11Cl2NO/c14-7-5-9(15)12-11(6-7)16-10-4-2-1-3-8(10)13(12)17/h5-6H,1-4H2,(H,16,17)
InChIKeyUZZQLXJKYBQUCC-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.71
Rot. Bonds

About 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one

6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 53362376) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID53362376
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C13H11Cl2NO/c14-7-5-9(15)12-11(6-7)16-10-4-2-1-3-8(10)13(12)17/h5-6H,1-4H2,(H,16,17)
InChIKeyUZZQLXJKYBQUCC-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 53362376) is 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3cc(Cl)cc(Cl)c13)CCCC2.
What is the InChIKey of 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is UZZQLXJKYBQUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-7-5-9(15)12-11(6-7)16-10-4-2-1-3-8(10)13(12)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 268.14 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 53362376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).