2-ethoxy-N-methyl-7-nitroacridin-9-amine

C16H15N3O3 — CID 3108923

IUPAC2-ethoxy-N-methyl-7-nitroacridin-9-amine
SMILESCCOc1ccc2nc3ccc([N+](=O)[O-])cc3c(NC)c2c1
InChIInChI=1S/C16H15N3O3/c1-3-22-11-5-7-15-13(9-11)16(17-2)12-8-10(19(20)21)4-6-14(12)18-15/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyNQBQASMZCUCYBM-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.74
Rot. Bonds4

About 2-ethoxy-N-methyl-7-nitroacridin-9-amine

2-ethoxy-N-methyl-7-nitroacridin-9-amine (PubChem CID 3108923) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-7-nitroacridin-9-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-7-nitroacridin-9-amine
PubChem CID3108923
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-ethoxy-N-methyl-7-nitroacridin-9-amine
SMILESCCOc1ccc2nc3ccc([N+](=O)[O-])cc3c(NC)c2c1
InChIInChI=1S/C16H15N3O3/c1-3-22-11-5-7-15-13(9-11)16(17-2)12-8-10(19(20)21)4-6-14(12)18-15/h4-9H,3H2,1-2H3,(H,17,18)
InChIKeyNQBQASMZCUCYBM-UHFFFAOYSA-N
XLogP3.74
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-7-nitroacridin-9-amine?
The IUPAC name of 2-ethoxy-N-methyl-7-nitroacridin-9-amine (CID 3108923) is 2-ethoxy-N-methyl-7-nitroacridin-9-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-7-nitroacridin-9-amine?
The canonical SMILES for 2-ethoxy-N-methyl-7-nitroacridin-9-amine is CCOc1ccc2nc3ccc([N+](=O)[O-])cc3c(NC)c2c1.
What is the InChIKey of 2-ethoxy-N-methyl-7-nitroacridin-9-amine?
The InChIKey is NQBQASMZCUCYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-22-11-5-7-15-13(9-11)16(17-2)12-8-10(19(20)21)4-6-14(12)18-15/h4-9H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-ethoxy-N-methyl-7-nitroacridin-9-amine?
2-ethoxy-N-methyl-7-nitroacridin-9-amine has a molecular weight of 297.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-7-nitroacridin-9-amine is sourced from PubChem (CID 3108923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).