3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione

C22H25NO4 — CID 11530739

IUPAC3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione
SMILESCC1C(=O)CC2=C(C(=O)c3ccccc3C2=O)C1CCCN1CCOCC1
InChIInChI=1S/C22H25NO4/c1-14-15(7-4-8-23-9-11-27-12-10-23)20-18(13-19(14)24)21(25)16-5-2-3-6-17(16)22(20)26/h2-3,5-6,14-15H,4,7-13H2,1H3
InChIKeyKURQAKMHRBSLAL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.70
Rot. Bonds4

About 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione

3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione (PubChem CID 11530739) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione.

Molecular Properties

Compound Name3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione
PubChem CID11530739
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione
SMILESCC1C(=O)CC2=C(C(=O)c3ccccc3C2=O)C1CCCN1CCOCC1
InChIInChI=1S/C22H25NO4/c1-14-15(7-4-8-23-9-11-27-12-10-23)20-18(13-19(14)24)21(25)16-5-2-3-6-17(16)22(20)26/h2-3,5-6,14-15H,4,7-13H2,1H3
InChIKeyKURQAKMHRBSLAL-UHFFFAOYSA-N
XLogP2.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
ethane;1-fluoro-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 144958240
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
1-methoxy-N-(2-morpholin-4-ylethyl)-5,10-dioxo-1H-benzo[g]isochromene-3-carboxamide
CID 57117723
2-chloro-3-(2-morpholin-4-ylethylimino)naphthalene-1,4-dione
CID 6928252
1-[[(2S)-3-chloro-2-hydroxypropyl]amino]-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 118498985
2-(3-morpholin-4-ylpropyl)-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
CID 19074376
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
(2R)-3-(3-morpholin-4-ylpropyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7194317

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione?
The IUPAC name of 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione (CID 11530739) is 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione.
What is the SMILES notation for 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione?
The canonical SMILES for 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione is CC1C(=O)CC2=C(C(=O)c3ccccc3C2=O)C1CCCN1CCOCC1.
What is the InChIKey of 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione?
The InChIKey is KURQAKMHRBSLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14-15(7-4-8-23-9-11-27-12-10-23)20-18(13-19(14)24)21(25)16-5-2-3-6-17(16)22(20)26/h2-3,5-6,14-15H,4,7-13H2,1H3.
What are the key properties of 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione?
3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione has a molecular weight of 367.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-anthracene-2,9,10-trione is sourced from PubChem (CID 11530739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).