8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C15H19NO6 — CID 139588703

IUPAC8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1COC(Oc2cccc3c2NC(=O)CC3)C(O)C1O
InChIInChI=1S/C15H19NO6/c1-20-10-7-21-15(14(19)13(10)18)22-9-4-2-3-8-5-6-11(17)16-12(8)9/h2-4,10,13-15,18-19H,5-7H2,1H3,(H,16,17)
InChIKeyNSDGUUOFDZEZOW-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.04
Rot. Bonds3

About 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139588703) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID139588703
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1COC(Oc2cccc3c2NC(=O)CC3)C(O)C1O
InChIInChI=1S/C15H19NO6/c1-20-10-7-21-15(14(19)13(10)18)22-9-4-2-3-8-5-6-11(17)16-12(8)9/h2-4,10,13-15,18-19H,5-7H2,1H3,(H,16,17)
InChIKeyNSDGUUOFDZEZOW-UHFFFAOYSA-N
XLogP0.04
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

Zeanoside B
CID 13988326
8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12961383
2(1H)-Quinolinone, 3,4-dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, monohydrochloride
CID 3040185
CID 13988327
CID 13988327
N-[2-[4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-7-fluoro-5-methyl-6-oxophenanthridin-1-yl]ethyl]acetamide
CID 145983540
CILOSTAZOL_met011
CID 171115030
5-(1-Hydroxy-ethyl)-2-methoxy-4h-benzo[1,4]oxazin-3-one
CID 10561035
8-(4'-O-methyl-alpha-rhamnopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one
CID 139588702
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-oxo-1H-quinolin-8-yl)oxy]oxane-2-carboxylic acid
CID 91176631
4-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinolin-2-one
CID 90783370
4-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyquinolin-2-one
CID 91281146
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(2-oxo-1H-quinolin-8-yl)oxy]oxane-2-carboxylic acid
CID 123576644

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 139588703) is 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is COC1COC(Oc2cccc3c2NC(=O)CC3)C(O)C1O.
What is the InChIKey of 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NSDGUUOFDZEZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-20-10-7-21-15(14(19)13(10)18)22-9-4-2-3-8-5-6-11(17)16-12(8)9/h2-4,10,13-15,18-19H,5-7H2,1H3,(H,16,17).
What are the key properties of 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 309.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydroxy-5-methoxyoxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139588703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).