1-methyl-1-nitro-10H-acridine

C14H12N2O2 — CID 122573038

IUPAC1-methyl-1-nitro-10H-acridine
SMILESCC1([N+](=O)[O-])C=CC=C2Nc3ccccc3C=C21
InChIInChI=1S/C14H12N2O2/c1-14(16(17)18)8-4-7-13-11(14)9-10-5-2-3-6-12(10)15-13/h2-9,15H,1H3
InChIKeyACAWLGJDBYBTDA-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.98
Rot. Bonds1

About 1-methyl-1-nitro-10H-acridine

1-methyl-1-nitro-10H-acridine (PubChem CID 122573038) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-methyl-1-nitro-10H-acridine.

Molecular Properties

Compound Name1-methyl-1-nitro-10H-acridine
PubChem CID122573038
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-methyl-1-nitro-10H-acridine
SMILESCC1([N+](=O)[O-])C=CC=C2Nc3ccccc3C=C21
InChIInChI=1S/C14H12N2O2/c1-14(16(17)18)8-4-7-13-11(14)9-10-5-2-3-6-12(10)15-13/h2-9,15H,1H3
InChIKeyACAWLGJDBYBTDA-UHFFFAOYSA-N
XLogP2.98
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.98
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'}

Analyze 1-methyl-1-nitro-10H-acridine 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 1-methyl-1-nitro-10H-acridine?
The IUPAC name of 1-methyl-1-nitro-10H-acridine (CID 122573038) is 1-methyl-1-nitro-10H-acridine.
What is the SMILES notation for 1-methyl-1-nitro-10H-acridine?
The canonical SMILES for 1-methyl-1-nitro-10H-acridine is CC1([N+](=O)[O-])C=CC=C2Nc3ccccc3C=C21.
What is the InChIKey of 1-methyl-1-nitro-10H-acridine?
The InChIKey is ACAWLGJDBYBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-14(16(17)18)8-4-7-13-11(14)9-10-5-2-3-6-12(10)15-13/h2-9,15H,1H3.
What are the key properties of 1-methyl-1-nitro-10H-acridine?
1-methyl-1-nitro-10H-acridine has a molecular weight of 240.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-nitro-10H-acridine is sourced from PubChem (CID 122573038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).