3,4,8-trimethoxy-1H-quinolin-2-one

C12H13NO4 — CID 11831392

IUPAC3,4,8-trimethoxy-1H-quinolin-2-one
SMILESCOc1c(OC)c2cccc(OC)c2[nH]c1=O
InChIInChI=1S/C12H13NO4/c1-15-8-6-4-5-7-9(8)13-12(14)11(17-3)10(7)16-2/h4-6H,1-3H3,(H,13,14)
InChIKeyOKUQNQUSANXMTM-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.55
Rot. Bonds3

About 3,4,8-trimethoxy-1H-quinolin-2-one

3,4,8-trimethoxy-1H-quinolin-2-one (PubChem CID 11831392) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3,4,8-trimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4,8-trimethoxy-1H-quinolin-2-one
PubChem CID11831392
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3,4,8-trimethoxy-1H-quinolin-2-one
SMILESCOc1c(OC)c2cccc(OC)c2[nH]c1=O
InChIInChI=1S/C12H13NO4/c1-15-8-6-4-5-7-9(8)13-12(14)11(17-3)10(7)16-2/h4-6H,1-3H3,(H,13,14)
InChIKeyOKUQNQUSANXMTM-UHFFFAOYSA-N
XLogP1.55
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,8-trimethoxy-1H-quinolin-2-one?
The IUPAC name of 3,4,8-trimethoxy-1H-quinolin-2-one (CID 11831392) is 3,4,8-trimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3,4,8-trimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3,4,8-trimethoxy-1H-quinolin-2-one is COc1c(OC)c2cccc(OC)c2[nH]c1=O.
What is the InChIKey of 3,4,8-trimethoxy-1H-quinolin-2-one?
The InChIKey is OKUQNQUSANXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-15-8-6-4-5-7-9(8)13-12(14)11(17-3)10(7)16-2/h4-6H,1-3H3,(H,13,14).
What are the key properties of 3,4,8-trimethoxy-1H-quinolin-2-one?
3,4,8-trimethoxy-1H-quinolin-2-one has a molecular weight of 235.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-trimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 11831392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).