6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione

C19H20N2O4 — CID 6125753

IUPAC6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(O)ccc(c23)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C19H20N2O4/c22-16-6-5-15-17-13(16)3-1-4-14(17)18(23)21(19(15)24)8-2-7-20-9-11-25-12-10-20/h1,3-6,22H,2,7-12H2
InChIKeyVODJOFZWABRAIL-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.86
Rot. Bonds4

About 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione

6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 6125753) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
PubChem CID6125753
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(O)ccc(c23)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C19H20N2O4/c22-16-6-5-15-17-13(16)3-1-4-14(17)18(23)21(19(15)24)8-2-7-20-9-11-25-12-10-20/h1,3-6,22H,2,7-12H2
InChIKeyVODJOFZWABRAIL-UHFFFAOYSA-N
XLogP1.86
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione
CID 132937127
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 2148149
2-(2-morpholin-4-ylethyl)-6-(4-trimethylsilyloxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 102368939
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
6,13-bis(3-morpholin-4-ylpropyl)-2-(3-pyrrolidin-1-ylpropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
CID 165087236
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 25246712
1-(3-pyrrolidin-1-ylpropyl)benzo[cd]indol-2-one
CID 116619002
2-(3-piperazin-1-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 3435846

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione (CID 6125753) is 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(O)ccc(c23)C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is VODJOFZWABRAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-16-6-5-15-17-13(16)3-1-4-14(17)18(23)21(19(15)24)8-2-7-20-9-11-25-12-10-20/h1,3-6,22H,2,7-12H2.
What are the key properties of 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione?
6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 340.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 6125753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).