9-chloro-4-methoxy-1-nitroacridine

C14H9ClN2O3 — CID 18505069

IUPAC9-chloro-4-methoxy-1-nitroacridine
SMILESCOc1ccc([N+](=O)[O-])c2c(Cl)c3ccccc3nc12
InChIInChI=1S/C14H9ClN2O3/c1-20-11-7-6-10(17(18)19)12-13(15)8-4-2-3-5-9(8)16-14(11)12/h2-7H,1H3
InChIKeyIRAJCJGLJYZTBI-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.96
Rot. Bonds2

About 9-chloro-4-methoxy-1-nitroacridine

9-chloro-4-methoxy-1-nitroacridine (PubChem CID 18505069) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 9-chloro-4-methoxy-1-nitroacridine.

Molecular Properties

Compound Name9-chloro-4-methoxy-1-nitroacridine
PubChem CID18505069
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name9-chloro-4-methoxy-1-nitroacridine
SMILESCOc1ccc([N+](=O)[O-])c2c(Cl)c3ccccc3nc12
InChIInChI=1S/C14H9ClN2O3/c1-20-11-7-6-10(17(18)19)12-13(15)8-4-2-3-5-9(8)16-14(11)12/h2-7H,1H3
InChIKeyIRAJCJGLJYZTBI-UHFFFAOYSA-N
XLogP3.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.96
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

9-chloro-5-methoxy-3-nitroacridine
CID 10708528
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
(9-chloro-2,4-dimethoxyacridin-1-yl) trifluoromethanesulfonate
CID 91089284
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
4-chloro-3-nitroquinoline;ethane
CID 90799881
4-chloro-2-methyl-3-nitroquinoline
CID 12673397
2-chloro-6-methoxy-3-nitrobenzenethiol
CID 170559954
7-methoxy-4-nitro-1-phenoxyacridin-9-amine
CID 14913791
N-(4-methoxy-3-nitrophenyl)-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 172907359
1-methoxy-2-nitronaphthalene
CID 10899709
8-methoxy-3-methyl-5-nitroquinolin-2-amine
CID 63231551
4-chloro-N-methyl-3-nitroquinolin-2-amine
CID 70975596

Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-methoxy-1-nitroacridine?
The IUPAC name of 9-chloro-4-methoxy-1-nitroacridine (CID 18505069) is 9-chloro-4-methoxy-1-nitroacridine.
What is the SMILES notation for 9-chloro-4-methoxy-1-nitroacridine?
The canonical SMILES for 9-chloro-4-methoxy-1-nitroacridine is COc1ccc([N+](=O)[O-])c2c(Cl)c3ccccc3nc12.
What is the InChIKey of 9-chloro-4-methoxy-1-nitroacridine?
The InChIKey is IRAJCJGLJYZTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c1-20-11-7-6-10(17(18)19)12-13(15)8-4-2-3-5-9(8)16-14(11)12/h2-7H,1H3.
What are the key properties of 9-chloro-4-methoxy-1-nitroacridine?
9-chloro-4-methoxy-1-nitroacridine has a molecular weight of 288.69 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-methoxy-1-nitroacridine is sourced from PubChem (CID 18505069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).