1,6-dichloro-4-nitro-10H-acridin-9-one

C13H6Cl2N2O3 — CID 154120208

IUPAC1,6-dichloro-4-nitro-10H-acridin-9-one
SMILESO=c1c2ccc(Cl)cc2[nH]c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C13H6Cl2N2O3/c14-6-1-2-7-9(5-6)16-12-10(17(19)20)4-3-8(15)11(12)13(7)18/h1-5H,(H,16,18)
InChIKeyFWOIUVHJYOIYIH-UHFFFAOYSA-N
MW309.11 g/mol
LogP3.90
Rot. Bonds1

About 1,6-dichloro-4-nitro-10H-acridin-9-one

1,6-dichloro-4-nitro-10H-acridin-9-one (PubChem CID 154120208) has the molecular formula C13H6Cl2N2O3 and a molecular weight of 309.11 g/mol. Its IUPAC name is 1,6-dichloro-4-nitro-10H-acridin-9-one.

Molecular Properties

Compound Name1,6-dichloro-4-nitro-10H-acridin-9-one
PubChem CID154120208
Molecular FormulaC13H6Cl2N2O3
Molecular Weight309.11 g/mol
Exact Mass307.98
IUPAC Name1,6-dichloro-4-nitro-10H-acridin-9-one
SMILESO=c1c2ccc(Cl)cc2[nH]c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C13H6Cl2N2O3/c14-6-1-2-7-9(5-6)16-12-10(17(19)20)4-3-8(15)11(12)13(7)18/h1-5H,(H,16,18)
InChIKeyFWOIUVHJYOIYIH-UHFFFAOYSA-N
XLogP3.90
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,6-dichloro-4-nitro-10H-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

Related Compounds

7-tert-butyl-1-chloro-4-nitro-10H-acridin-9-one
CID 10019570
1,8-dichloro-4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 58607353
1-chloro-2-methoxy-4-nitro-6-phenyl-10H-acridin-9-one
CID 70502938
5-chloro-8-nitro-1H-quinolin-4-one
CID 19592294
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
7-chloro-2-[3-(2-chlorophenyl)prop-2-ynyl]-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
CID 10295135
5,6-dichloro-3-nitro-1H-pyridin-2-one
CID 125483662
2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
8-chloro-5-nitro-2H-isoquinolin-1-one
CID 82572145
CID 58762875
CID 58762875
5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 14566226

Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-4-nitro-10H-acridin-9-one?
The IUPAC name of 1,6-dichloro-4-nitro-10H-acridin-9-one (CID 154120208) is 1,6-dichloro-4-nitro-10H-acridin-9-one.
What is the SMILES notation for 1,6-dichloro-4-nitro-10H-acridin-9-one?
The canonical SMILES for 1,6-dichloro-4-nitro-10H-acridin-9-one is O=c1c2ccc(Cl)cc2[nH]c2c([N+](=O)[O-])ccc(Cl)c12.
What is the InChIKey of 1,6-dichloro-4-nitro-10H-acridin-9-one?
The InChIKey is FWOIUVHJYOIYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N2O3/c14-6-1-2-7-9(5-6)16-12-10(17(19)20)4-3-8(15)11(12)13(7)18/h1-5H,(H,16,18).
What are the key properties of 1,6-dichloro-4-nitro-10H-acridin-9-one?
1,6-dichloro-4-nitro-10H-acridin-9-one has a molecular weight of 309.11 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-4-nitro-10H-acridin-9-one is sourced from PubChem (CID 154120208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).