3,4-dichloro-10H-acridin-9-one

C13H7Cl2NO — CID 138629142

IUPAC3,4-dichloro-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C13H7Cl2NO/c14-9-6-5-8-12(11(9)15)16-10-4-2-1-3-7(10)13(8)17/h1-6H,(H,16,17)
InChIKeyIIJDNCAHEDVUNR-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.99
Rot. Bonds

About 3,4-dichloro-10H-acridin-9-one

3,4-dichloro-10H-acridin-9-one (PubChem CID 138629142) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 3,4-dichloro-10H-acridin-9-one.

Molecular Properties

Compound Name3,4-dichloro-10H-acridin-9-one
PubChem CID138629142
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name3,4-dichloro-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C13H7Cl2NO/c14-9-6-5-8-12(11(9)15)16-10-4-2-1-3-7(10)13(8)17/h1-6H,(H,16,17)
InChIKeyIIJDNCAHEDVUNR-UHFFFAOYSA-N
XLogP3.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 162179481
10H-acridin-9-one
CID 22753806
10H-acridin-9-one;ethane
CID 91525380
2-chloro-1-methyl-9H-carbazole
CID 154342995
3,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58880554
1-chloro-2-hydroxy-10H-acridin-9-one
CID 131713832
2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025
2-chloro-4-hydroxy-1-methyl-10H-acridin-9-one
CID 154130044
7,8-dichloro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
CID 62914964
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-10H-acridin-9-one?
The IUPAC name of 3,4-dichloro-10H-acridin-9-one (CID 138629142) is 3,4-dichloro-10H-acridin-9-one.
What is the SMILES notation for 3,4-dichloro-10H-acridin-9-one?
The canonical SMILES for 3,4-dichloro-10H-acridin-9-one is O=c1c2ccccc2[nH]c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 3,4-dichloro-10H-acridin-9-one?
The InChIKey is IIJDNCAHEDVUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c14-9-6-5-8-12(11(9)15)16-10-4-2-1-3-7(10)13(8)17/h1-6H,(H,16,17).
What are the key properties of 3,4-dichloro-10H-acridin-9-one?
3,4-dichloro-10H-acridin-9-one has a molecular weight of 264.11 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-10H-acridin-9-one is sourced from PubChem (CID 138629142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).