4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one

C16H19NO8 — CID 90783370

IUPAC4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one
SMILESCOc1cc(=O)[nH]c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12
InChIInChI=1S/C16H19NO8/c1-23-9-5-11(19)17-12-7(9)3-2-4-8(12)24-16-15(22)14(21)13(20)10(6-18)25-16/h2-5,10,13-16,18,20-22H,6H2,1H3,(H,17,19)/t10-,13-,14+,15-,16-/m1/s1
InChIKeyAZMXGLGJNSTXST-LMXXTMHSSA-N
MW353.33 g/mol
LogP-1.28
Rot. Bonds4

About 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one

4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one (PubChem CID 90783370) has the molecular formula C16H19NO8 and a molecular weight of 353.33 g/mol. Its IUPAC name is 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one
PubChem CID90783370
Molecular FormulaC16H19NO8
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one
SMILESCOc1cc(=O)[nH]c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12
InChIInChI=1S/C16H19NO8/c1-23-9-5-11(19)17-12-7(9)3-2-4-8(12)24-16-15(22)14(21)13(20)10(6-18)25-16/h2-5,10,13-16,18,20-22H,6H2,1H3,(H,17,19)/t10-,13-,14+,15-,16-/m1/s1
InChIKeyAZMXGLGJNSTXST-LMXXTMHSSA-N
XLogP-1.28
TPSA141.47 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Foliosidine
CID 2837663
Zeanoside B
CID 13988326
4-Methoxy-1-methyl-8-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]quinolin-2-one
CID 2837664
(R)-8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2(1H)-one
CID 673470
8-(2,3-Dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2(1H)-one
CID 16219364
CID 13988327
CID 13988327
Foliosidine acetate
CID 4413625
Pseudonocardian C
CID 139585027
8-(beta-D-glucopyranosyloxy)-4-hydroxy-2-quinolinecarboxylic acid
CID 3035727
N-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide
CID 46837790
Xanthurenate-8-O-beta-D-glucoside
CID 53481609
[(2S)-3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-8-yl)oxy-3-methylbutan-2-yl] acetate
CID 92139157

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one?
The IUPAC name of 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one (CID 90783370) is 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one.
What is the SMILES notation for 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one?
The canonical SMILES for 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one is COc1cc(=O)[nH]c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12.
What is the InChIKey of 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one?
The InChIKey is AZMXGLGJNSTXST-LMXXTMHSSA-N. The full InChI is InChI=1S/C16H19NO8/c1-23-9-5-11(19)17-12-7(9)3-2-4-8(12)24-16-15(22)14(21)13(20)10(6-18)25-16/h2-5,10,13-16,18,20-22H,6H2,1H3,(H,17,19)/t10-,13-,14+,15-,16-/m1/s1.
What are the key properties of 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one?
4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one has a molecular weight of 353.33 g/mol, XLogP of -1.28, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one is sourced from PubChem (CID 90783370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).