6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione

C19H17NO6 — CID 24829373

IUPAC6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3cc(OC)c(OC)c(OC)c3)ccc2C1=O
InChIInChI=1S/C19H17NO6/c1-23-14-9-13(21)17-11(18(14)22)5-6-12(20-17)10-7-15(24-2)19(26-4)16(8-10)25-3/h5-9H,1-4H3
InChIKeyCBKAPDKDCGQDLM-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.68
Rot. Bonds5

About 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione

6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione (PubChem CID 24829373) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione.

Molecular Properties

Compound Name6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione
PubChem CID24829373
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione
SMILESCOC1=CC(=O)c2nc(-c3cc(OC)c(OC)c(OC)c3)ccc2C1=O
InChIInChI=1S/C19H17NO6/c1-23-14-9-13(21)17-11(18(14)22)5-6-12(20-17)10-7-15(24-2)19(26-4)16(8-10)25-3/h5-9H,1-4H3
InChIKeyCBKAPDKDCGQDLM-UHFFFAOYSA-N
XLogP2.68
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione?
The IUPAC name of 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione (CID 24829373) is 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione.
What is the SMILES notation for 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione?
The canonical SMILES for 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione is COC1=CC(=O)c2nc(-c3cc(OC)c(OC)c(OC)c3)ccc2C1=O.
What is the InChIKey of 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione?
The InChIKey is CBKAPDKDCGQDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-23-14-9-13(21)17-11(18(14)22)5-6-12(20-17)10-7-15(24-2)19(26-4)16(8-10)25-3/h5-9H,1-4H3.
What are the key properties of 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione?
6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione has a molecular weight of 355.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-5,8-dione is sourced from PubChem (CID 24829373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).