5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine

C21H17N3O4 — CID 10499695

IUPAC5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine
SMILESCOc1ccccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(OC)cccc12
InChIInChI=1S/C21H17N3O4/c1-27-18-8-4-3-7-16(18)22-20-14-11-10-13(24(25)26)12-17(14)23-21-15(20)6-5-9-19(21)28-2/h3-12H,1-2H3,(H,22,23)
InChIKeyWXVIUGCWFIAMFE-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.06
Rot. Bonds5

About 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine

5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine (PubChem CID 10499695) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine
PubChem CID10499695
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine
SMILESCOc1ccccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(OC)cccc12
InChIInChI=1S/C21H17N3O4/c1-27-18-8-4-3-7-16(18)22-20-14-11-10-13(24(25)26)12-17(14)23-21-15(20)6-5-9-19(21)28-2/h3-12H,1-2H3,(H,22,23)
InChIKeyWXVIUGCWFIAMFE-UHFFFAOYSA-N
XLogP5.06
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.06
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

1-(5-methoxy-3-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine
CID 10597407
9-chloro-5-methoxy-3-nitroacridine
CID 10708528
N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]butane-1-sulfonamide;hydrochloride
CID 118705721
N-(2-methoxyphenyl)-2,5-dinitro-1-benzothiophen-3-amine
CID 5296564
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid
CID 91007171
N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
1-methoxy-N-methyl-7-nitroacridin-9-amine
CID 71397248
2-[(2-nitroacridin-9-yl)amino]benzoic acid
CID 12524879
N-(2-methoxy-5-nitrophenyl)-2,4,6-trinitroaniline
CID 3703226
4-chloro-N-(2-methoxy-5-nitrophenyl)-1,3-benzoxazol-2-amine
CID 139785838
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine?
The IUPAC name of 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine (CID 10499695) is 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine.
What is the SMILES notation for 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine?
The canonical SMILES for 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine is COc1ccccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(OC)cccc12.
What is the InChIKey of 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine?
The InChIKey is WXVIUGCWFIAMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-18-8-4-3-7-16(18)22-20-14-11-10-13(24(25)26)12-17(14)23-21-15(20)6-5-9-19(21)28-2/h3-12H,1-2H3,(H,22,23).
What are the key properties of 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine?
5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine has a molecular weight of 375.38 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine is sourced from PubChem (CID 10499695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).