N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine

C18H19N3O3 — CID 59882812

IUPACN-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine
SMILESCOCNc1c2cc(C)ccc2nc2c(C)cc(C)c([N+](=O)[O-])c12
InChIInChI=1S/C18H19N3O3/c1-10-5-6-14-13(7-10)17(19-9-24-4)15-16(20-14)11(2)8-12(3)18(15)21(22)23/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyZPUPDCWLYYGNIA-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.24
Rot. Bonds4

About N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine

N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine (PubChem CID 59882812) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine
PubChem CID59882812
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine
SMILESCOCNc1c2cc(C)ccc2nc2c(C)cc(C)c([N+](=O)[O-])c12
InChIInChI=1S/C18H19N3O3/c1-10-5-6-14-13(7-10)17(19-9-24-4)15-16(20-14)11(2)8-12(3)18(15)21(22)23/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyZPUPDCWLYYGNIA-UHFFFAOYSA-N
XLogP4.24
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

2,4,7,9-tetramethyl-1-nitroacridine
CID 59882811
9-tert-butyl-1,4,7-trimethylacridine
CID 159196230
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
7-methyl-1-nitronaphthalen-2-ol
CID 170439338
N-(2-methoxypropyl)-5-methyl-2-nitroaniline
CID 102698941
1-methoxy-N-methyl-7-nitroacridin-9-amine
CID 71397248
N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
2-chloro-6-methoxy-4-methyl-3-nitropyridine
CID 146235051
N-[(4-methoxyoxan-4-yl)methyl]-2-methyl-6-nitroquinolin-4-amine
CID 75476726
3-[(4-methyl-1-nitroacridin-9-yl)amino]propyl propanoate;hydrochloride
CID 18505074
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine?
The IUPAC name of N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine (CID 59882812) is N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine.
What is the SMILES notation for N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine?
The canonical SMILES for N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine is COCNc1c2cc(C)ccc2nc2c(C)cc(C)c([N+](=O)[O-])c12.
What is the InChIKey of N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine?
The InChIKey is ZPUPDCWLYYGNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-10-5-6-14-13(7-10)17(19-9-24-4)15-16(20-14)11(2)8-12(3)18(15)21(22)23/h5-8H,9H2,1-4H3,(H,19,20).
What are the key properties of N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine?
N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine has a molecular weight of 325.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine is sourced from PubChem (CID 59882812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).