6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione

C19H14N2O3 — CID 67714689

IUPAC6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione
SMILESO=C1CC2=CC(=Cc3ccnc4c(O)cccc34)CC=C2C(=O)N1
InChIInChI=1S/C19H14N2O3/c22-16-3-1-2-14-12(6-7-20-18(14)16)8-11-4-5-15-13(9-11)10-17(23)21-19(15)24/h1-3,5-9,22H,4,10H2,(H,21,23,24)
InChIKeyNLOPSAILNRZCFJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.63
Rot. Bonds1

About 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione

6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione (PubChem CID 67714689) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione.

Molecular Properties

Compound Name6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione
PubChem CID67714689
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione
SMILESO=C1CC2=CC(=Cc3ccnc4c(O)cccc34)CC=C2C(=O)N1
InChIInChI=1S/C19H14N2O3/c22-16-3-1-2-14-12(6-7-20-18(14)16)8-11-4-5-15-13(9-11)10-17(23)21-19(15)24/h1-3,5-9,22H,4,10H2,(H,21,23,24)
InChIKeyNLOPSAILNRZCFJ-UHFFFAOYSA-N
XLogP2.63
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione?
The IUPAC name of 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione (CID 67714689) is 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione.
What is the SMILES notation for 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione?
The canonical SMILES for 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione is O=C1CC2=CC(=Cc3ccnc4c(O)cccc34)CC=C2C(=O)N1.
What is the InChIKey of 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione?
The InChIKey is NLOPSAILNRZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-16-3-1-2-14-12(6-7-20-18(14)16)8-11-4-5-15-13(9-11)10-17(23)21-19(15)24/h1-3,5-9,22H,4,10H2,(H,21,23,24).
What are the key properties of 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione?
6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione has a molecular weight of 318.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione is sourced from PubChem (CID 67714689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).