1-methoxy-N-methyl-7-nitroacridin-9-amine

C15H13N3O3 — CID 71397248

IUPAC1-methoxy-N-methyl-7-nitroacridin-9-amine
SMILESCNc1c2cc([N+](=O)[O-])ccc2nc2cccc(OC)c12
InChIInChI=1S/C15H13N3O3/c1-16-15-10-8-9(18(19)20)6-7-11(10)17-12-4-3-5-13(21-2)14(12)15/h3-8H,1-2H3,(H,16,17)
InChIKeyJDWOXJZRIVXADF-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.35
Rot. Bonds3

About 1-methoxy-N-methyl-7-nitroacridin-9-amine

1-methoxy-N-methyl-7-nitroacridin-9-amine (PubChem CID 71397248) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-methoxy-N-methyl-7-nitroacridin-9-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-7-nitroacridin-9-amine
PubChem CID71397248
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name1-methoxy-N-methyl-7-nitroacridin-9-amine
SMILESCNc1c2cc([N+](=O)[O-])ccc2nc2cccc(OC)c12
InChIInChI=1S/C15H13N3O3/c1-16-15-10-8-9(18(19)20)6-7-11(10)17-12-4-3-5-13(21-2)14(12)15/h3-8H,1-2H3,(H,16,17)
InChIKeyJDWOXJZRIVXADF-UHFFFAOYSA-N
XLogP3.35
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.35
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'}

Analyze 1-methoxy-N-methyl-7-nitroacridin-9-amine 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

4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
9-[(2-methoxy-4-nitrophenyl)methyl]acridine
CID 158713992
4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
9-chloro-5-methoxy-3-nitroacridine
CID 10708528
2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline
CID 59213654
5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine
CID 10499695
1-(5-methoxy-3-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine
CID 10597407
2-(2,3-dimethoxyphenyl)-6-nitro-1,3-benzoxazole
CID 91684001
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
CID 6263432
2-[(2-nitroacridin-9-yl)amino]benzoic acid
CID 12524879
1-N,4-N-dimethyl-4-N-(2-methyl-6-nitroquinazolin-4-yl)benzene-1,4-diamine
CID 68515327
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-7-nitroacridin-9-amine?
The IUPAC name of 1-methoxy-N-methyl-7-nitroacridin-9-amine (CID 71397248) is 1-methoxy-N-methyl-7-nitroacridin-9-amine.
What is the SMILES notation for 1-methoxy-N-methyl-7-nitroacridin-9-amine?
The canonical SMILES for 1-methoxy-N-methyl-7-nitroacridin-9-amine is CNc1c2cc([N+](=O)[O-])ccc2nc2cccc(OC)c12.
What is the InChIKey of 1-methoxy-N-methyl-7-nitroacridin-9-amine?
The InChIKey is JDWOXJZRIVXADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-16-15-10-8-9(18(19)20)6-7-11(10)17-12-4-3-5-13(21-2)14(12)15/h3-8H,1-2H3,(H,16,17).
What are the key properties of 1-methoxy-N-methyl-7-nitroacridin-9-amine?
1-methoxy-N-methyl-7-nitroacridin-9-amine has a molecular weight of 283.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-7-nitroacridin-9-amine is sourced from PubChem (CID 71397248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).