6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one

C13H11Cl2NO — CID 53362431

IUPAC6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)c(Cl)cc13)CCCC2
InChIInChI=1S/C13H11Cl2NO/c14-9-5-8-12(6-10(9)15)16-11-4-2-1-3-7(11)13(8)17/h5-6H,1-4H2,(H,16,17)
InChIKeyFJQILKDATSKMEE-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.71
Rot. Bonds

About 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one

6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 53362431) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID53362431
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(Cl)c(Cl)cc13)CCCC2
InChIInChI=1S/C13H11Cl2NO/c14-9-5-8-12(6-10(9)15)16-11-4-2-1-3-7(11)13(8)17/h5-6H,1-4H2,(H,16,17)
InChIKeyFJQILKDATSKMEE-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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 53362431) is 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3cc(Cl)c(Cl)cc13)CCCC2.
What is the InChIKey of 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is FJQILKDATSKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-9-5-8-12(6-10(9)15)16-11-4-2-1-3-7(11)13(8)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one?
6,7-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 6,7-dichloro-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 53362431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).