9-phenoxyacridine-1,4-dione

C19H11NO3 — CID 102027445

IUPAC9-phenoxyacridine-1,4-dione
SMILESO=C1C=CC(=O)c2c1nc1ccccc1c2Oc1ccccc1
InChIInChI=1S/C19H11NO3/c21-15-10-11-16(22)18-17(15)19(23-12-6-2-1-3-7-12)13-8-4-5-9-14(13)20-18/h1-11H
InChIKeyOPDAGWYFAJDQLW-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.96
Rot. Bonds2

About 9-phenoxyacridine-1,4-dione

9-phenoxyacridine-1,4-dione (PubChem CID 102027445) has the molecular formula C19H11NO3 and a molecular weight of 301.30 g/mol. Its IUPAC name is 9-phenoxyacridine-1,4-dione.

Molecular Properties

Compound Name9-phenoxyacridine-1,4-dione
PubChem CID102027445
Molecular FormulaC19H11NO3
Molecular Weight301.30 g/mol
Exact Mass301.07
IUPAC Name9-phenoxyacridine-1,4-dione
SMILESO=C1C=CC(=O)c2c1nc1ccccc1c2Oc1ccccc1
InChIInChI=1S/C19H11NO3/c21-15-10-11-16(22)18-17(15)19(23-12-6-2-1-3-7-12)13-8-4-5-9-14(13)20-18/h1-11H
InChIKeyOPDAGWYFAJDQLW-UHFFFAOYSA-N
XLogP3.96
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-phenoxy-2-phenylquinoline
CID 164676381
9-(2-trimethylsilylethynyl)acridine-1,4-dione
CID 639598
2-(4-bromophenoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762294
4-chloro-9-phenoxyacridine
CID 71390850
5-phenoxytriazine-4,6-diamine
CID 154264389
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
9-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-9-yl)oxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 57258736
cyclopenta[c]quinolin-1-one
CID 145005244
8-phenoxyphenanthridine-6-carbaldehyde
CID 178074620
6-chloro-11-phenoxytetracene-5,12-dione
CID 12586342
2-phenoxyquinolin-4-amine
CID 158312324

Frequently Asked Questions

What is the IUPAC name of 9-phenoxyacridine-1,4-dione?
The IUPAC name of 9-phenoxyacridine-1,4-dione (CID 102027445) is 9-phenoxyacridine-1,4-dione.
What is the SMILES notation for 9-phenoxyacridine-1,4-dione?
The canonical SMILES for 9-phenoxyacridine-1,4-dione is O=C1C=CC(=O)c2c1nc1ccccc1c2Oc1ccccc1.
What is the InChIKey of 9-phenoxyacridine-1,4-dione?
The InChIKey is OPDAGWYFAJDQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO3/c21-15-10-11-16(22)18-17(15)19(23-12-6-2-1-3-7-12)13-8-4-5-9-14(13)20-18/h1-11H.
What are the key properties of 9-phenoxyacridine-1,4-dione?
9-phenoxyacridine-1,4-dione has a molecular weight of 301.30 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-phenoxyacridine-1,4-dione is sourced from PubChem (CID 102027445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).