3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one

C21H21N3O5 — CID 71828488

IUPAC3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccc3nccnc23)o1
InChIInChI=1S/C21H21N3O5/c1-13-11-17(25)20(27)21(29-13)15(12-18(26)24-7-9-28-10-8-24)14-3-2-4-16-19(14)23-6-5-22-16/h2-6,11,15,27H,7-10,12H2,1H3
InChIKeyHKRITWKEJUDIGU-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.98
Rot. Bonds4

About 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one

3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one (PubChem CID 71828488) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one
PubChem CID71828488
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccc3nccnc23)o1
InChIInChI=1S/C21H21N3O5/c1-13-11-17(25)20(27)21(29-13)15(12-18(26)24-7-9-28-10-8-24)14-3-2-4-16-19(14)23-6-5-22-16/h2-6,11,15,27H,7-10,12H2,1H3
InChIKeyHKRITWKEJUDIGU-UHFFFAOYSA-N
XLogP1.98
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-4-Phenyl-1-(quinoxaline-5-carbonyl)piperidin-3-OL
CID 16674641
3-Hydroxy-2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-5-(1,10-phenanthrolin-3-yl)cyclohex-2-en-1-one
CID 146459580
6-(2,2-Dimethyl-3-oxomorpholin-4-yl)quinoline-4-carboxylic acid
CID 164532873
8-(4-Morpholin-4-ylbutanoylamino)quinoline-4-carboxylic acid
CID 176215144
methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(quinoxalin-5-yl)propanoate
CID 71703621
methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(quinoxalin-6-yl)propanoate
CID 71707384
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(quinoxalin-6-yl)propanoate
CID 71709132
methyl 3-(3-hydroxy-4-oxo-6-((phenylthio)methyl)-4H-pyran-2-yl)-3-(quinoxalin-5-yl)propanoate
CID 71709725
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(quinoxalin-6-yl)propanoate
CID 71753348
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(quinoxalin-5-yl)propanoate
CID 71753465
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(quinoxalin-5-yl)propanoate
CID 71825871
3-hydroxy-6-methyl-2-(3-morpholino-3-oxo-1-(quinolin-4-yl)propyl)-4H-pyran-4-one
CID 71826402

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one (CID 71828488) is 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one is Cc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccc3nccnc23)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one?
The InChIKey is HKRITWKEJUDIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13-11-17(25)20(27)21(29-13)15(12-18(26)24-7-9-28-10-8-24)14-3-2-4-16-19(14)23-6-5-22-16/h2-6,11,15,27H,7-10,12H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one?
3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one has a molecular weight of 395.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-(3-morpholin-4-yl-3-oxo-1-quinoxalin-5-ylpropyl)pyran-4-one is sourced from PubChem (CID 71828488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).