9-[(2-methoxy-4-nitrophenyl)methyl]acridine

C21H16N2O3 — CID 158713992

IUPAC9-[(2-methoxy-4-nitrophenyl)methyl]acridine
SMILESCOc1cc([N+](=O)[O-])ccc1Cc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H16N2O3/c1-26-21-13-15(23(24)25)11-10-14(21)12-18-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-11,13H,12H2,1H3
InChIKeyIJBSWJIHQARZCG-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.90
Rot. Bonds4

About 9-[(2-methoxy-4-nitrophenyl)methyl]acridine

9-[(2-methoxy-4-nitrophenyl)methyl]acridine (PubChem CID 158713992) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 9-[(2-methoxy-4-nitrophenyl)methyl]acridine.

Molecular Properties

Compound Name9-[(2-methoxy-4-nitrophenyl)methyl]acridine
PubChem CID158713992
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name9-[(2-methoxy-4-nitrophenyl)methyl]acridine
SMILESCOc1cc([N+](=O)[O-])ccc1Cc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H16N2O3/c1-26-21-13-15(23(24)25)11-10-14(21)12-18-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-11,13H,12H2,1H3
InChIKeyIJBSWJIHQARZCG-UHFFFAOYSA-N
XLogP4.90
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-2-methylquinazoline
CID 112774793
1-methoxy-N-methyl-7-nitroacridin-9-amine
CID 71397248
1-(2,2-dimethylpropyl)-2-methoxy-4-nitrobenzene
CID 57080324
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481
aniline;2-methoxy-4-nitroaniline
CID 154966148
3-nitroacridin-9-amine
CID 26592
3-(2-methoxy-4-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865540
N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
ethyl 2-[(2-methoxy-5-nitrophenoxy)methyl]-4-methylquinoline-3-carboxylate
CID 7893499
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methoxy-4-nitrophenyl)methyl]acridine?
The IUPAC name of 9-[(2-methoxy-4-nitrophenyl)methyl]acridine (CID 158713992) is 9-[(2-methoxy-4-nitrophenyl)methyl]acridine.
What is the SMILES notation for 9-[(2-methoxy-4-nitrophenyl)methyl]acridine?
The canonical SMILES for 9-[(2-methoxy-4-nitrophenyl)methyl]acridine is COc1cc([N+](=O)[O-])ccc1Cc1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-[(2-methoxy-4-nitrophenyl)methyl]acridine?
The InChIKey is IJBSWJIHQARZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-26-21-13-15(23(24)25)11-10-14(21)12-18-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-11,13H,12H2,1H3.
What are the key properties of 9-[(2-methoxy-4-nitrophenyl)methyl]acridine?
9-[(2-methoxy-4-nitrophenyl)methyl]acridine has a molecular weight of 344.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methoxy-4-nitrophenyl)methyl]acridine is sourced from PubChem (CID 158713992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).