6-methoxy-2-phenylquinoline-5,8-dione

C16H11NO3 — CID 15907476

IUPAC6-methoxy-2-phenylquinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3ccccc3)ccc2C1=O
InChIInChI=1S/C16H11NO3/c1-20-14-9-13(18)15-11(16(14)19)7-8-12(17-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyRPYFKWSNFVJEDW-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.66
Rot. Bonds2

About 6-methoxy-2-phenylquinoline-5,8-dione

6-methoxy-2-phenylquinoline-5,8-dione (PubChem CID 15907476) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-methoxy-2-phenylquinoline-5,8-dione.

Molecular Properties

Compound Name6-methoxy-2-phenylquinoline-5,8-dione
PubChem CID15907476
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name6-methoxy-2-phenylquinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3ccccc3)ccc2C1=O
InChIInChI=1S/C16H11NO3/c1-20-14-9-13(18)15-11(16(14)19)7-8-12(17-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyRPYFKWSNFVJEDW-UHFFFAOYSA-N
XLogP2.66
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenylquinoline-5,8-dione?
The IUPAC name of 6-methoxy-2-phenylquinoline-5,8-dione (CID 15907476) is 6-methoxy-2-phenylquinoline-5,8-dione.
What is the SMILES notation for 6-methoxy-2-phenylquinoline-5,8-dione?
The canonical SMILES for 6-methoxy-2-phenylquinoline-5,8-dione is COC1=CC(=O)c2nc(-c3ccccc3)ccc2C1=O.
What is the InChIKey of 6-methoxy-2-phenylquinoline-5,8-dione?
The InChIKey is RPYFKWSNFVJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-20-14-9-13(18)15-11(16(14)19)7-8-12(17-15)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-methoxy-2-phenylquinoline-5,8-dione?
6-methoxy-2-phenylquinoline-5,8-dione has a molecular weight of 265.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenylquinoline-5,8-dione is sourced from PubChem (CID 15907476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).