9-chloro-5-methoxy-3-nitroacridine

C14H9ClN2O3 — CID 10708528

IUPAC9-chloro-5-methoxy-3-nitroacridine
SMILESCOc1cccc2c(Cl)c3ccc([N+](=O)[O-])cc3nc12
InChIInChI=1S/C14H9ClN2O3/c1-20-12-4-2-3-10-13(15)9-6-5-8(17(18)19)7-11(9)16-14(10)12/h2-7H,1H3
InChIKeyGDGUIIZNYIXNDE-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.96
Rot. Bonds2

About 9-chloro-5-methoxy-3-nitroacridine

9-chloro-5-methoxy-3-nitroacridine (PubChem CID 10708528) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 9-chloro-5-methoxy-3-nitroacridine.

Molecular Properties

Compound Name9-chloro-5-methoxy-3-nitroacridine
PubChem CID10708528
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name9-chloro-5-methoxy-3-nitroacridine
SMILESCOc1cccc2c(Cl)c3ccc([N+](=O)[O-])cc3nc12
InChIInChI=1S/C14H9ClN2O3/c1-20-12-4-2-3-10-13(15)9-6-5-8(17(18)19)7-11(9)16-14(10)12/h2-7H,1H3
InChIKeyGDGUIIZNYIXNDE-UHFFFAOYSA-N
XLogP3.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 9-chloro-5-methoxy-3-nitroacridine 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

5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine
CID 10499695
1-(5-methoxy-3-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine
CID 10597407
9-chloro-4-methoxy-1-nitroacridine
CID 18505069
(4-nitrophenyl) 9-chloro-6-methylacridine-4-carboxylate
CID 71402976
4-chloro-2-(3-methoxythiophen-2-yl)-7-nitroquinazoline
CID 114589452
9-chloro-4-iodo-2-isocyano-6-nitroacridine
CID 140768426
1-methoxy-N-methyl-7-nitroacridin-9-amine
CID 71397248
2,4-dichloro-7-nitroquinazoline
CID 12703362
1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
CID 71347660
N-(2-bromo-5-nitrophenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693181

Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-methoxy-3-nitroacridine?
The IUPAC name of 9-chloro-5-methoxy-3-nitroacridine (CID 10708528) is 9-chloro-5-methoxy-3-nitroacridine.
What is the SMILES notation for 9-chloro-5-methoxy-3-nitroacridine?
The canonical SMILES for 9-chloro-5-methoxy-3-nitroacridine is COc1cccc2c(Cl)c3ccc([N+](=O)[O-])cc3nc12.
What is the InChIKey of 9-chloro-5-methoxy-3-nitroacridine?
The InChIKey is GDGUIIZNYIXNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c1-20-12-4-2-3-10-13(15)9-6-5-8(17(18)19)7-11(9)16-14(10)12/h2-7H,1H3.
What are the key properties of 9-chloro-5-methoxy-3-nitroacridine?
9-chloro-5-methoxy-3-nitroacridine has a molecular weight of 288.69 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-methoxy-3-nitroacridine is sourced from PubChem (CID 10708528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).