1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one

C27H18N2O4 — CID 141439853

IUPAC1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2cccc(OC(O)c3cccc4[nH]c5ccccc5c(=O)c34)c12
InChIInChI=1S/C27H18N2O4/c30-25-15-7-1-3-10-18(15)28-20-12-5-9-17(23(20)25)27(32)33-22-14-6-13-21-24(22)26(31)16-8-2-4-11-19(16)29-21/h1-14,27,32H,(H,28,30)(H,29,31)
InChIKeyWUIUVOWJNGLOFJ-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.75
Rot. Bonds3

About 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one

1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one (PubChem CID 141439853) has the molecular formula C27H18N2O4 and a molecular weight of 434.45 g/mol. Its IUPAC name is 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one
PubChem CID141439853
Molecular FormulaC27H18N2O4
Molecular Weight434.45 g/mol
Exact Mass434.13
IUPAC Name1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2cccc(OC(O)c3cccc4[nH]c5ccccc5c(=O)c34)c12
InChIInChI=1S/C27H18N2O4/c30-25-15-7-1-3-10-18(15)28-20-12-5-9-17(23(20)25)27(32)33-22-14-6-13-21-24(22)26(31)16-8-2-4-11-19(16)29-21/h1-14,27,32H,(H,28,30)(H,29,31)
InChIKeyWUIUVOWJNGLOFJ-UHFFFAOYSA-N
XLogP4.75
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10H-acridin-9-one
CID 22753806
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
naphthalen-1-yl(naphthalen-1-yloxy)methanol
CID 68578221
4-hydroxy-10H-benzo[b][1,7]naphthyridin-5-one
CID 91356808
1-[4,6-bis(9-oxo-10H-acridin-1-yl)-1,3,5-triazin-2-yl]-10H-acridin-9-one
CID 90952892
10H-acridin-9-one;ethane
CID 91525380
2-(9H-carbazol-4-yloxy)pentanoic acid
CID 59571754
2-(9H-carbazol-4-yloxy)-N'-hydroxypropanimidamide
CID 3070308
1-chloro-2-hydroxy-10H-acridin-9-one
CID 131713832
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
CID 139905975
2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione
CID 22321575

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one?
The IUPAC name of 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one (CID 141439853) is 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one.
What is the SMILES notation for 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one?
The canonical SMILES for 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one is O=c1c2ccccc2[nH]c2cccc(OC(O)c3cccc4[nH]c5ccccc5c(=O)c34)c12.
What is the InChIKey of 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one?
The InChIKey is WUIUVOWJNGLOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O4/c30-25-15-7-1-3-10-18(15)28-20-12-5-9-17(23(20)25)27(32)33-22-14-6-13-21-24(22)26(31)16-8-2-4-11-19(16)29-21/h1-14,27,32H,(H,28,30)(H,29,31).
What are the key properties of 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one?
1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one has a molecular weight of 434.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(9-oxo-10H-acridin-1-yl)methoxy]-10H-acridin-9-one is sourced from PubChem (CID 141439853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).