6-morpholin-4-yl-2-phenylphenalene-1,3-dione

C23H19NO3 — CID 3607848

IUPAC6-morpholin-4-yl-2-phenylphenalene-1,3-dione
SMILESO=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)C1c1ccccc1
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/h1-10,20H,11-14H2
InChIKeyVYGDLOGZBDNUOQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.84
Rot. Bonds2

About 6-morpholin-4-yl-2-phenylphenalene-1,3-dione

6-morpholin-4-yl-2-phenylphenalene-1,3-dione (PubChem CID 3607848) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-phenylphenalene-1,3-dione.

Molecular Properties

Compound Name6-morpholin-4-yl-2-phenylphenalene-1,3-dione
PubChem CID3607848
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name6-morpholin-4-yl-2-phenylphenalene-1,3-dione
SMILESO=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)C1c1ccccc1
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/h1-10,20H,11-14H2
InChIKeyVYGDLOGZBDNUOQ-UHFFFAOYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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
3-hydroxy-7-morpholin-4-yl-2-phenylphenalen-1-one
CID 3650174
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
2-[2-(3-aminopropylamino)ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 58690350
3-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl 4-phenylbenzoate
CID 5194188
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
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
2-[3-(2-aminoethylamino)propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-(3-aminopropylamino)ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 158755595
2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl pentanoate
CID 3495785
4-tert-butyl-N-hydroxybenzamide;6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
CID 163280306

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-phenylphenalene-1,3-dione?
The IUPAC name of 6-morpholin-4-yl-2-phenylphenalene-1,3-dione (CID 3607848) is 6-morpholin-4-yl-2-phenylphenalene-1,3-dione.
What is the SMILES notation for 6-morpholin-4-yl-2-phenylphenalene-1,3-dione?
The canonical SMILES for 6-morpholin-4-yl-2-phenylphenalene-1,3-dione is O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)C1c1ccccc1.
What is the InChIKey of 6-morpholin-4-yl-2-phenylphenalene-1,3-dione?
The InChIKey is VYGDLOGZBDNUOQ-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/h1-10,20H,11-14H2.
What are the key properties of 6-morpholin-4-yl-2-phenylphenalene-1,3-dione?
6-morpholin-4-yl-2-phenylphenalene-1,3-dione has a molecular weight of 357.41 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-phenylphenalene-1,3-dione is sourced from PubChem (CID 3607848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).