(6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione

C18H14N2O2 — CID 19041959

IUPAC(6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione
SMILESO=C1CC2=C/C(=C/c3c[nH]c4ccccc34)CC=C2C(=O)N1
InChIInChI=1S/C18H14N2O2/c21-17-9-12-7-11(5-6-15(12)18(22)20-17)8-13-10-19-16-4-2-1-3-14(13)16/h1-4,6-8,10,19H,5,9H2,(H,20,21,22)/b11-8+
InChIKeyVJUQCGZWLKLYKK-DHZHZOJOSA-N
MW290.32 g/mol
LogP2.85
Rot. Bonds1

About (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione

(6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione (PubChem CID 19041959) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione.

Molecular Properties

Compound Name(6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione
PubChem CID19041959
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione
SMILESO=C1CC2=C/C(=C/c3c[nH]c4ccccc34)CC=C2C(=O)N1
InChIInChI=1S/C18H14N2O2/c21-17-9-12-7-11(5-6-15(12)18(22)20-17)8-13-10-19-16-4-2-1-3-14(13)16/h1-4,6-8,10,19H,5,9H2,(H,20,21,22)/b11-8+
InChIKeyVJUQCGZWLKLYKK-DHZHZOJOSA-N
XLogP2.85
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione with MolForge

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Related Compounds

6-[(8-hydroxyquinolin-4-yl)methylidene]-4,7-dihydroisoquinoline-1,3-dione
CID 67714689
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
CID 716705
(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 58923919
(3E)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 69454677
(3E)-3-(1H-indol-3-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979063
5-cyclobutylidene-4-(1H-indol-3-ylmethylidene)pyrazolidin-3-one
CID 91302745
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
5,7-dibromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 57043328
4-(1H-indol-3-ylmethylidene)-2-methyl-5-propan-2-ylidenepyrazolidin-3-one
CID 90777256
4-(1H-indol-3-ylmethylidene)-5-propan-2-ylidenepyrazolidin-3-one
CID 91600485
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
2-(1H-indol-3-yl)ethenyl-methylidyneazanium
CID 162800591

Frequently Asked Questions

What is the IUPAC name of (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione?
The IUPAC name of (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione (CID 19041959) is (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione.
What is the SMILES notation for (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione?
The canonical SMILES for (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione is O=C1CC2=C/C(=C/c3c[nH]c4ccccc34)CC=C2C(=O)N1.
What is the InChIKey of (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione?
The InChIKey is VJUQCGZWLKLYKK-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-9-12-7-11(5-6-15(12)18(22)20-17)8-13-10-19-16-4-2-1-3-14(13)16/h1-4,6-8,10,19H,5,9H2,(H,20,21,22)/b11-8+.
What are the key properties of (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione?
(6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione has a molecular weight of 290.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(1H-indol-3-ylmethylidene)-4,7-dihydroisoquinoline-1,3-dione is sourced from PubChem (CID 19041959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).