1,4-difluoro-5-methoxyacridine

C14H9F2NO — CID 134863233

IUPAC1,4-difluoro-5-methoxyacridine
SMILESCOc1cccc2cc3c(F)ccc(F)c3nc12
InChIInChI=1S/C14H9F2NO/c1-18-12-4-2-3-8-7-9-10(15)5-6-11(16)14(9)17-13(8)12/h2-7H,1H3
InChIKeyMRKQWRUJFZYLBI-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.67
Rot. Bonds1

About 1,4-difluoro-5-methoxyacridine

1,4-difluoro-5-methoxyacridine (PubChem CID 134863233) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 1,4-difluoro-5-methoxyacridine.

Molecular Properties

Compound Name1,4-difluoro-5-methoxyacridine
PubChem CID134863233
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name1,4-difluoro-5-methoxyacridine
SMILESCOc1cccc2cc3c(F)ccc(F)c3nc12
InChIInChI=1S/C14H9F2NO/c1-18-12-4-2-3-8-7-9-10(15)5-6-11(16)14(9)17-13(8)12/h2-7H,1H3
InChIKeyMRKQWRUJFZYLBI-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-methoxyacridin-4-amine
CID 11053298
2-fluoro-8-methoxyquinoline
CID 54155138
3-bromo-8-methoxyquinolin-2-amine
CID 97181839
2-bromo-8-fluoro-5-methoxyquinoline
CID 102941272
(8-fluoro-5-methoxyquinolin-2-yl)methanamine
CID 102941402
8-methoxyquinolin-3-amine;dihydrochloride
CID 53396928
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
8-methoxy-3-propylquinolin-2-amine
CID 63232389
8-methoxy-N-methylquinolin-2-amine
CID 57292538
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
2-(4-fluorophenyl)-5-(8-methoxy-2-methylquinolin-3-yl)-1,3,4-oxadiazole
CID 99962716
8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
CID 68554779

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-5-methoxyacridine?
The IUPAC name of 1,4-difluoro-5-methoxyacridine (CID 134863233) is 1,4-difluoro-5-methoxyacridine.
What is the SMILES notation for 1,4-difluoro-5-methoxyacridine?
The canonical SMILES for 1,4-difluoro-5-methoxyacridine is COc1cccc2cc3c(F)ccc(F)c3nc12.
What is the InChIKey of 1,4-difluoro-5-methoxyacridine?
The InChIKey is MRKQWRUJFZYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-18-12-4-2-3-8-7-9-10(15)5-6-11(16)14(9)17-13(8)12/h2-7H,1H3.
What are the key properties of 1,4-difluoro-5-methoxyacridine?
1,4-difluoro-5-methoxyacridine has a molecular weight of 245.23 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-5-methoxyacridine is sourced from PubChem (CID 134863233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).