4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one

C11H11NO4 — CID 54712720

IUPAC4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(O)c2cc1OC
InChIInChI=1S/C11H11NO4/c1-15-9-3-6-7(4-10(9)16-2)12-11(14)5-8(6)13/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyFGPCWYCOKWFRNK-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.25
Rot. Bonds2

About 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one

4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 54712720) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID54712720
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(O)c2cc1OC
InChIInChI=1S/C11H11NO4/c1-15-9-3-6-7(4-10(9)16-2)12-11(14)5-8(6)13/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyFGPCWYCOKWFRNK-UHFFFAOYSA-N
XLogP1.25
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one (CID 54712720) is 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2[nH]c(=O)cc(O)c2cc1OC.
What is the InChIKey of 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is FGPCWYCOKWFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-9-3-6-7(4-10(9)16-2)12-11(14)5-8(6)13/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one?
4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 221.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 54712720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).