5,6,8-trimethoxy-1,4-dimethylquinolin-2-one

C14H17NO4 — CID 15306617

IUPAC5,6,8-trimethoxy-1,4-dimethylquinolin-2-one
SMILESCOc1cc(OC)c2c(c(C)cc(=O)n2C)c1OC
InChIInChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3
InChIKeyPJUNWPXRLZUYPB-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.87
Rot. Bonds3

About 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one

5,6,8-trimethoxy-1,4-dimethylquinolin-2-one (PubChem CID 15306617) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name5,6,8-trimethoxy-1,4-dimethylquinolin-2-one
PubChem CID15306617
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5,6,8-trimethoxy-1,4-dimethylquinolin-2-one
SMILESCOc1cc(OC)c2c(c(C)cc(=O)n2C)c1OC
InChIInChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3
InChIKeyPJUNWPXRLZUYPB-UHFFFAOYSA-N
XLogP1.87
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one?
The IUPAC name of 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one (CID 15306617) is 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one?
The canonical SMILES for 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one is COc1cc(OC)c2c(c(C)cc(=O)n2C)c1OC.
What is the InChIKey of 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one?
The InChIKey is PJUNWPXRLZUYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-6-11(16)15(2)13-9(17-3)7-10(18-4)14(19-5)12(8)13/h6-7H,1-5H3.
What are the key properties of 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one?
5,6,8-trimethoxy-1,4-dimethylquinolin-2-one has a molecular weight of 263.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trimethoxy-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 15306617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).