7-methoxy-4-nitro-1-phenoxyacridin-9-amine

C20H15N3O4 — CID 14913791

IUPAC7-methoxy-4-nitro-1-phenoxyacridin-9-amine
SMILESCOc1ccc2nc3c([N+](=O)[O-])ccc(Oc4ccccc4)c3c(N)c2c1
InChIInChI=1S/C20H15N3O4/c1-26-13-7-8-15-14(11-13)19(21)18-17(27-12-5-3-2-4-6-12)10-9-16(23(24)25)20(18)22-15/h2-11H,1H3,(H2,21,22)
InChIKeyZTGSXLZLMSFWLS-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.68
Rot. Bonds4

About 7-methoxy-4-nitro-1-phenoxyacridin-9-amine

7-methoxy-4-nitro-1-phenoxyacridin-9-amine (PubChem CID 14913791) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 7-methoxy-4-nitro-1-phenoxyacridin-9-amine.

Molecular Properties

Compound Name7-methoxy-4-nitro-1-phenoxyacridin-9-amine
PubChem CID14913791
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name7-methoxy-4-nitro-1-phenoxyacridin-9-amine
SMILESCOc1ccc2nc3c([N+](=O)[O-])ccc(Oc4ccccc4)c3c(N)c2c1
InChIInChI=1S/C20H15N3O4/c1-26-13-7-8-15-14(11-13)19(21)18-17(27-12-5-3-2-4-6-12)10-9-16(23(24)25)20(18)22-15/h2-11H,1H3,(H2,21,22)
InChIKeyZTGSXLZLMSFWLS-UHFFFAOYSA-N
XLogP4.68
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

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CID 54908814
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CID 46189780
9-chloro-4-methoxy-1-nitroacridine
CID 18505069
6-methoxy-3-nitro-4-phenylquinoline
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4-(8-nitroquinolin-5-yl)oxyaniline
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4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
6-methoxy-4-methyl-3-nitroquinoline
CID 612778
1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 79166618

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-nitro-1-phenoxyacridin-9-amine?
The IUPAC name of 7-methoxy-4-nitro-1-phenoxyacridin-9-amine (CID 14913791) is 7-methoxy-4-nitro-1-phenoxyacridin-9-amine.
What is the SMILES notation for 7-methoxy-4-nitro-1-phenoxyacridin-9-amine?
The canonical SMILES for 7-methoxy-4-nitro-1-phenoxyacridin-9-amine is COc1ccc2nc3c([N+](=O)[O-])ccc(Oc4ccccc4)c3c(N)c2c1.
What is the InChIKey of 7-methoxy-4-nitro-1-phenoxyacridin-9-amine?
The InChIKey is ZTGSXLZLMSFWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-26-13-7-8-15-14(11-13)19(21)18-17(27-12-5-3-2-4-6-12)10-9-16(23(24)25)20(18)22-15/h2-11H,1H3,(H2,21,22).
What are the key properties of 7-methoxy-4-nitro-1-phenoxyacridin-9-amine?
7-methoxy-4-nitro-1-phenoxyacridin-9-amine has a molecular weight of 361.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-nitro-1-phenoxyacridin-9-amine is sourced from PubChem (CID 14913791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).