4-hydroxy-7-methoxy-4aH-quinolin-2-one

C10H9NO3 — CID 75641480

IUPAC4-hydroxy-7-methoxy-4aH-quinolin-2-one
SMILESCOC1=CC2=NC(=O)C=C(O)C2C=C1
InChIInChI=1S/C10H9NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h2-5,7,12H,1H3
InChIKeyZFIPSRUAYAVKQK-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.13
Rot. Bonds1

About 4-hydroxy-7-methoxy-4aH-quinolin-2-one

4-hydroxy-7-methoxy-4aH-quinolin-2-one (PubChem CID 75641480) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-hydroxy-7-methoxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-7-methoxy-4aH-quinolin-2-one
PubChem CID75641480
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-hydroxy-7-methoxy-4aH-quinolin-2-one
SMILESCOC1=CC2=NC(=O)C=C(O)C2C=C1
InChIInChI=1S/C10H9NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h2-5,7,12H,1H3
InChIKeyZFIPSRUAYAVKQK-UHFFFAOYSA-N
XLogP1.13
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-7-methoxy-6H-quinolin-2-one
CID 123271967
4-hydroxy-5-methoxy-6H-quinolin-2-one
CID 123785079
4-methoxy-4aH-quinolin-2-one
CID 45074627
4-hydroxy-6,7-dimethoxy-6H-quinolin-2-one
CID 71303370
4-hydroxy-4aH-quinolin-2-one
CID 71303372
6-methoxy-4aH-quinolin-2-one
CID 71650454
2-Hydroxy-7-methylquinolin-4(4aH)-one
CID 72218615
5-methoxy-4aH-quinolin-2-one
CID 72218735
4-hydroxy-3-methyl-4aH-quinolin-2-one
CID 72493337
4-hydroxy-5-methoxy-4aH-quinolin-2-one
CID 75679357
6-ethoxy-4-methyl-4aH-quinolin-2-one
CID 76851551
3-(hydroxymethyl)-7-methoxy-4aH-quinolin-2-one
CID 78209004

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methoxy-4aH-quinolin-2-one?
The IUPAC name of 4-hydroxy-7-methoxy-4aH-quinolin-2-one (CID 75641480) is 4-hydroxy-7-methoxy-4aH-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-7-methoxy-4aH-quinolin-2-one?
The canonical SMILES for 4-hydroxy-7-methoxy-4aH-quinolin-2-one is COC1=CC2=NC(=O)C=C(O)C2C=C1.
What is the InChIKey of 4-hydroxy-7-methoxy-4aH-quinolin-2-one?
The InChIKey is ZFIPSRUAYAVKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h2-5,7,12H,1H3.
What are the key properties of 4-hydroxy-7-methoxy-4aH-quinolin-2-one?
4-hydroxy-7-methoxy-4aH-quinolin-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methoxy-4aH-quinolin-2-one is sourced from PubChem (CID 75641480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).