4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one

C21H18N2O6 — CID 154585320

IUPAC4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(Cc3c(O)c4cc(OC)ccc4[nH]c3=O)c(O)c2c1
InChIInChI=1S/C21H18N2O6/c1-28-10-3-5-16-12(7-10)18(24)14(20(26)22-16)9-15-19(25)13-8-11(29-2)4-6-17(13)23-21(15)27/h3-8H,9H2,1-2H3,(H2,22,24,26)(H2,23,25,27)
InChIKeyXSOHUGGGBSFWIE-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.39
Rot. Bonds4

About 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one

4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 154585320) has the molecular formula C21H18N2O6 and a molecular weight of 394.38 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID154585320
Molecular FormulaC21H18N2O6
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(Cc3c(O)c4cc(OC)ccc4[nH]c3=O)c(O)c2c1
InChIInChI=1S/C21H18N2O6/c1-28-10-3-5-16-12(7-10)18(24)14(20(26)22-16)9-15-19(25)13-8-11(29-2)4-6-17(13)23-21(15)27/h3-8H,9H2,1-2H3,(H2,22,24,26)(H2,23,25,27)
InChIKeyXSOHUGGGBSFWIE-UHFFFAOYSA-N
XLogP2.39
TPSA124.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
6-methoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789837
9-methoxy-6H-benzo[h][1,6]naphthyridin-5-one
CID 58424967
6-methoxy-9H-carbazol-3-ol
CID 142959347
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
2-(3-hydroxy-5-methoxy-1H-indol-2-yl)-5-methoxyindol-3-one
CID 135404314
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
2-(6-methoxy-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174598
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one (CID 154585320) is 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(Cc3c(O)c4cc(OC)ccc4[nH]c3=O)c(O)c2c1.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is XSOHUGGGBSFWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6/c1-28-10-3-5-16-12(7-10)18(24)14(20(26)22-16)9-15-19(25)13-8-11(29-2)4-6-17(13)23-21(15)27/h3-8H,9H2,1-2H3,(H2,22,24,26)(H2,23,25,27).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one?
4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 394.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 154585320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).