2,4,7,9-tetramethyl-1-nitroacridine

C17H16N2O2 — CID 59882811

IUPAC2,4,7,9-tetramethyl-1-nitroacridine
SMILESCc1ccc2nc3c(C)cc(C)c([N+](=O)[O-])c3c(C)c2c1
InChIInChI=1S/C17H16N2O2/c1-9-5-6-14-13(7-9)12(4)15-16(18-14)10(2)8-11(3)17(15)19(20)21/h5-8H,1-4H3
InChIKeySNNMLQHTGUHNJV-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.53
Rot. Bonds1

About 2,4,7,9-tetramethyl-1-nitroacridine

2,4,7,9-tetramethyl-1-nitroacridine (PubChem CID 59882811) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,4,7,9-tetramethyl-1-nitroacridine.

Molecular Properties

Compound Name2,4,7,9-tetramethyl-1-nitroacridine
PubChem CID59882811
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2,4,7,9-tetramethyl-1-nitroacridine
SMILESCc1ccc2nc3c(C)cc(C)c([N+](=O)[O-])c3c(C)c2c1
InChIInChI=1S/C17H16N2O2/c1-9-5-6-14-13(7-9)12(4)15-16(18-14)10(2)8-11(3)17(15)19(20)21/h5-8H,1-4H3
InChIKeySNNMLQHTGUHNJV-UHFFFAOYSA-N
XLogP4.53
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-(methoxymethyl)-2,4,7-trimethyl-1-nitroacridin-9-amine
CID 59882812
9-tert-butyl-1,4,7-trimethylacridine
CID 159196230
7-methyl-1-nitronaphthalen-2-ol
CID 170439338
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
6-methyl-2-(6-methylquinolin-3-yl)-5-nitroquinoline
CID 686690
2,9-dimethylbenzo[c]cinnoline
CID 14472808
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
CID 6185582
2-[6-methyl-2-(4-nitrophenyl)quinolin-4-yl]aniline
CID 155387923
6-methyl-5-nitroquinoxaline
CID 55271660
2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-6-nitro-1,3-benzothiazole
CID 159179835
6-methyl-2-(nitromethyl)quinoline
CID 119082068
1,4-dimethyl-2-nitrobenzene
CID 20849377

Frequently Asked Questions

What is the IUPAC name of 2,4,7,9-tetramethyl-1-nitroacridine?
The IUPAC name of 2,4,7,9-tetramethyl-1-nitroacridine (CID 59882811) is 2,4,7,9-tetramethyl-1-nitroacridine.
What is the SMILES notation for 2,4,7,9-tetramethyl-1-nitroacridine?
The canonical SMILES for 2,4,7,9-tetramethyl-1-nitroacridine is Cc1ccc2nc3c(C)cc(C)c([N+](=O)[O-])c3c(C)c2c1.
What is the InChIKey of 2,4,7,9-tetramethyl-1-nitroacridine?
The InChIKey is SNNMLQHTGUHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-9-5-6-14-13(7-9)12(4)15-16(18-14)10(2)8-11(3)17(15)19(20)21/h5-8H,1-4H3.
What are the key properties of 2,4,7,9-tetramethyl-1-nitroacridine?
2,4,7,9-tetramethyl-1-nitroacridine has a molecular weight of 280.33 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,9-tetramethyl-1-nitroacridine is sourced from PubChem (CID 59882811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).