6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione

C17H13NO3 — CID 15907477

IUPAC6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3ccc(C)cc3)ccc2C1=O
InChIInChI=1S/C17H13NO3/c1-10-3-5-11(6-4-10)13-8-7-12-16(18-13)14(19)9-15(21-2)17(12)20/h3-9H,1-2H3
InChIKeyWIFXEQFNDPGVQE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.97
Rot. Bonds2

About 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione

6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione (PubChem CID 15907477) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione.

Molecular Properties

Compound Name6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione
PubChem CID15907477
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3ccc(C)cc3)ccc2C1=O
InChIInChI=1S/C17H13NO3/c1-10-3-5-11(6-4-10)13-8-7-12-16(18-13)14(19)9-15(21-2)17(12)20/h3-9H,1-2H3
InChIKeyWIFXEQFNDPGVQE-UHFFFAOYSA-N
XLogP2.97
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.97
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-(4-methylphenyl)quinoline-5,8-dione?
The IUPAC name of 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione (CID 15907477) is 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione.
What is the SMILES notation for 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione?
The canonical SMILES for 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione is COC1=CC(=O)c2nc(-c3ccc(C)cc3)ccc2C1=O.
What is the InChIKey of 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione?
The InChIKey is WIFXEQFNDPGVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-10-3-5-11(6-4-10)13-8-7-12-16(18-13)14(19)9-15(21-2)17(12)20/h3-9H,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione?
6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione has a molecular weight of 279.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylphenyl)quinoline-5,8-dione is sourced from PubChem (CID 15907477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).