6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione

C20H15NO4 — CID 170551612

IUPAC6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
SMILESCOc1ccc2c(c1)C1(C=CC2=O)C(=O)N(C)C(=O)c2ccccc21
InChIInChI=1S/C20H15NO4/c1-21-18(23)14-5-3-4-6-15(14)20(19(21)24)10-9-17(22)13-8-7-12(25-2)11-16(13)20/h3-11H,1-2H3
InChIKeySUVSINZBTCQDCY-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.35
Rot. Bonds1

About 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione

6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione (PubChem CID 170551612) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione.

Molecular Properties

Compound Name6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
PubChem CID170551612
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
SMILESCOc1ccc2c(c1)C1(C=CC2=O)C(=O)N(C)C(=O)c2ccccc21
InChIInChI=1S/C20H15NO4/c1-21-18(23)14-5-3-4-6-15(14)20(19(21)24)10-9-17(22)13-8-7-12(25-2)11-16(13)20/h3-11H,1-2H3
InChIKeySUVSINZBTCQDCY-UHFFFAOYSA-N
XLogP2.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
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'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The IUPAC name of 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione (CID 170551612) is 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione.
What is the SMILES notation for 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The canonical SMILES for 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione is COc1ccc2c(c1)C1(C=CC2=O)C(=O)N(C)C(=O)c2ccccc21.
What is the InChIKey of 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The InChIKey is SUVSINZBTCQDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-21-18(23)14-5-3-4-6-15(14)20(19(21)24)10-9-17(22)13-8-7-12(25-2)11-16(13)20/h3-11H,1-2H3.
What are the key properties of 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione has a molecular weight of 333.34 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione is sourced from PubChem (CID 170551612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).