3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione

C10H9NO4 — CID 154638824

IUPAC3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione
SMILESCON1C(=O)c2ccccc2C(=O)C1O
InChIInChI=1S/C10H9NO4/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,10,14H,1H3
InChIKeyJUUJFCBOEDZZFJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.20
Rot. Bonds1

About 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione

3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione (PubChem CID 154638824) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione
PubChem CID154638824
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione
SMILESCON1C(=O)c2ccccc2C(=O)C1O
InChIInChI=1S/C10H9NO4/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,10,14H,1H3
InChIKeyJUUJFCBOEDZZFJ-UHFFFAOYSA-N
XLogP0.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-methoxy-3H-isoindol-1-one
CID 123451944
2-hydroxyindene-1,3-dione
CID 10219583
2-[1-(1,3-dioxoinden-2-yl)ethylideneamino]isoindole-1,3-dione
CID 707954
5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
CID 102006402
(1-hydroxy-3-oxo-1H-isoindol-2-yl) sulfite
CID 154525774
3-(azidomethyl)-2-methoxy-3H-isoindol-1-one
CID 177487187
2-hydroxyisoindole-1,3-dione
CID 66775726
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
(1R,2S,11R,12S)-15-hydroxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
CID 132516042
ethyl 2-methyl-1,4-dioxo-3H-isoquinoline-3-carboxylate
CID 16640024
methyl (1,3-dioxoisoindol-2-yl)sulfanylformate
CID 13367326
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione?
The IUPAC name of 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione (CID 154638824) is 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione.
What is the SMILES notation for 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione?
The canonical SMILES for 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione is CON1C(=O)c2ccccc2C(=O)C1O.
What is the InChIKey of 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione?
The InChIKey is JUUJFCBOEDZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,10,14H,1H3.
What are the key properties of 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione?
3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione has a molecular weight of 207.19 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-3H-isoquinoline-1,4-dione is sourced from PubChem (CID 154638824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).