5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one

C11H11NO4 — CID 144617933

IUPAC5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one
SMILESCOc1cc2c(c(O)c1OC)C(=O)CC=N2
InChIInChI=1S/C11H11NO4/c1-15-8-5-6-9(7(13)3-4-12-6)10(14)11(8)16-2/h4-5,14H,3H2,1-2H3
InChIKeyMDXRANQHJKUDKT-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.70
Rot. Bonds2

About 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one

5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one (PubChem CID 144617933) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one.

Molecular Properties

Compound Name5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one
PubChem CID144617933
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one
SMILESCOc1cc2c(c(O)c1OC)C(=O)CC=N2
InChIInChI=1S/C11H11NO4/c1-15-8-5-6-9(7(13)3-4-12-6)10(14)11(8)16-2/h4-5,14H,3H2,1-2H3
InChIKeyMDXRANQHJKUDKT-UHFFFAOYSA-N
XLogP1.70
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one?
The IUPAC name of 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one (CID 144617933) is 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one.
What is the SMILES notation for 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one?
The canonical SMILES for 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one is COc1cc2c(c(O)c1OC)C(=O)CC=N2.
What is the InChIKey of 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one?
The InChIKey is MDXRANQHJKUDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-8-5-6-9(7(13)3-4-12-6)10(14)11(8)16-2/h4-5,14H,3H2,1-2H3.
What are the key properties of 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one?
5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one has a molecular weight of 221.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7-dimethoxy-3H-quinolin-4-one is sourced from PubChem (CID 144617933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).