4-hydroxy-1-methyl-4H-quinoline-2,3-dione

C10H9NO3 — CID 90463059

IUPAC4-hydroxy-1-methyl-4H-quinoline-2,3-dione
SMILESCN1C(=O)C(=O)C(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,8,12H,1H3
InChIKeyJPNUPRALXPMAQC-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.27
Rot. Bonds

About 4-hydroxy-1-methyl-4H-quinoline-2,3-dione

4-hydroxy-1-methyl-4H-quinoline-2,3-dione (PubChem CID 90463059) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-4H-quinoline-2,3-dione.

Molecular Properties

Compound Name4-hydroxy-1-methyl-4H-quinoline-2,3-dione
PubChem CID90463059
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-hydroxy-1-methyl-4H-quinoline-2,3-dione
SMILESCN1C(=O)C(=O)C(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,8,12H,1H3
InChIKeyJPNUPRALXPMAQC-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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10-methyl-9H-acridine-9-carboxamide
CID 118456170
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
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4-cyclopropyl-1-methylindole-2,3-dione
CID 66788680
(3R)-3-ethyl-1-methyl-3H-indol-2-one
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1-hydroxy-3-methyl-3H-indol-2-one
CID 14740978
(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one
CID 76956927
3-(N-hydroxy-C-methylcarbonimidoyl)-1-methyl-3H-indol-2-one
CID 117066666
(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
CID 135061670
11,12-dibromo-9,14-dimethyl-9,14-diazapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 15733007
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
CID 144534632

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
The IUPAC name of 4-hydroxy-1-methyl-4H-quinoline-2,3-dione (CID 90463059) is 4-hydroxy-1-methyl-4H-quinoline-2,3-dione.
What is the SMILES notation for 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
The canonical SMILES for 4-hydroxy-1-methyl-4H-quinoline-2,3-dione is CN1C(=O)C(=O)C(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
The InChIKey is JPNUPRALXPMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,8,12H,1H3.
What are the key properties of 4-hydroxy-1-methyl-4H-quinoline-2,3-dione?
4-hydroxy-1-methyl-4H-quinoline-2,3-dione has a molecular weight of 191.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-4H-quinoline-2,3-dione is sourced from PubChem (CID 90463059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).