5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione

C18H17NO4 — CID 11515129

IUPAC5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cc2c(c(OC)c1)C(=O)C(C)(c1ccccc1)C(=O)N2
InChIInChI=1S/C18H17NO4/c1-18(11-7-5-4-6-8-11)16(20)15-13(19-17(18)21)9-12(22-2)10-14(15)23-3/h4-10H,1-3H3,(H,19,21)
InChIKeyJAZAKAQKSVJPJP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.80
Rot. Bonds3

About 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione

5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 11515129) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione
PubChem CID11515129
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cc2c(c(OC)c1)C(=O)C(C)(c1ccccc1)C(=O)N2
InChIInChI=1S/C18H17NO4/c1-18(11-7-5-4-6-8-11)16(20)15-13(19-17(18)21)9-12(22-2)10-14(15)23-3/h4-10H,1-3H3,(H,19,21)
InChIKeyJAZAKAQKSVJPJP-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione (CID 11515129) is 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione is COc1cc2c(c(OC)c1)C(=O)C(C)(c1ccccc1)C(=O)N2.
What is the InChIKey of 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is JAZAKAQKSVJPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-18(11-7-5-4-6-8-11)16(20)15-13(19-17(18)21)9-12(22-2)10-14(15)23-3/h4-10H,1-3H3,(H,19,21).
What are the key properties of 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-methyl-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 11515129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).