3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one

C23H19NO3 — CID 3650174

IUPAC3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one
SMILESO=C1C(c2ccccc2)=C(O)c2cccc3c(N4CCOCC4)ccc1c23
InChIInChI=1S/C23H19NO3/c25-22-17-8-4-7-16-19(24-11-13-27-14-12-24)10-9-18(21(16)17)23(26)20(22)15-5-2-1-3-6-15/h1-10,25H,11-14H2
InChIKeyQDPFDOPXHHHATA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.30
Rot. Bonds2

About 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one

3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one (PubChem CID 3650174) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one.

Molecular Properties

Compound Name3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one
PubChem CID3650174
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one
SMILESO=C1C(c2ccccc2)=C(O)c2cccc3c(N4CCOCC4)ccc1c23
InChIInChI=1S/C23H19NO3/c25-22-17-8-4-7-16-19(24-11-13-27-14-12-24)10-9-18(21(16)17)23(26)20(22)15-5-2-1-3-6-15/h1-10,25H,11-14H2
InChIKeyQDPFDOPXHHHATA-UHFFFAOYSA-N
XLogP4.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 3941057
6-morpholin-4-yl-2-phenylphenalene-1,3-dione
CID 3607848
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136
3-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl 4-phenylbenzoate
CID 5194188
2-(4-methylphenyl)-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 1105075
8-pyrrolidin-1-yl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 15538594
2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate
CID 541279
4-tert-butyl-N-hydroxybenzamide;6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 163280306
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
6-morpholin-4-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)benzo[de]isoquinoline-1,3-dione
CID 164793560
5-morpholin-4-yl-8-nitronaphthalene-1-carboxylic acid
CID 54858952
2-[2-[3-[2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 89343143

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one?
The IUPAC name of 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one (CID 3650174) is 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one.
What is the SMILES notation for 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one?
The canonical SMILES for 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one is O=C1C(c2ccccc2)=C(O)c2cccc3c(N4CCOCC4)ccc1c23.
What is the InChIKey of 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one?
The InChIKey is QDPFDOPXHHHATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22-17-8-4-7-16-19(24-11-13-27-14-12-24)10-9-18(21(16)17)23(26)20(22)15-5-2-1-3-6-15/h1-10,25H,11-14H2.
What are the key properties of 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one?
3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one has a molecular weight of 357.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one is sourced from PubChem (CID 3650174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).