6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione

C18H16N2O4 — CID 102273986

IUPAC6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione
SMILESCOc1cc2c(cc1OC)/C(=N/c1ccccc1)N(C)C(=O)C2=O
InChIInChI=1S/C18H16N2O4/c1-20-17(19-11-7-5-4-6-8-11)13-10-15(24-3)14(23-2)9-12(13)16(21)18(20)22/h4-10H,1-3H3/b19-17-
InChIKeyNLTUYHZJOSKBNP-ZPHPHTNESA-N
MW324.34 g/mol
LogP2.44
Rot. Bonds3

About 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione

6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione (PubChem CID 102273986) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione
PubChem CID102273986
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione
SMILESCOc1cc2c(cc1OC)/C(=N/c1ccccc1)N(C)C(=O)C2=O
InChIInChI=1S/C18H16N2O4/c1-20-17(19-11-7-5-4-6-8-11)13-10-15(24-3)14(23-2)9-12(13)16(21)18(20)22/h4-10H,1-3H3/b19-17-
InChIKeyNLTUYHZJOSKBNP-ZPHPHTNESA-N
XLogP2.44
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione?
The IUPAC name of 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione (CID 102273986) is 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione is COc1cc2c(cc1OC)/C(=N/c1ccccc1)N(C)C(=O)C2=O.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione?
The InChIKey is NLTUYHZJOSKBNP-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H16N2O4/c1-20-17(19-11-7-5-4-6-8-11)13-10-15(24-3)14(23-2)9-12(13)16(21)18(20)22/h4-10H,1-3H3/b19-17-.
What are the key properties of 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione?
6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione has a molecular weight of 324.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1-phenyliminoisoquinoline-3,4-dione is sourced from PubChem (CID 102273986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).