[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate

C19H18N2O5 — CID 8958658

IUPAC[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C19H18N2O5/c1-11-7-8-16(22)13(9-11)19(25)26-12(2)18(24)21-10-17(23)20-14-5-3-4-6-15(14)21/h3-9,12,22H,10H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyAAXXZINDNAFVQP-LBPRGKRZSA-N
MW354.36 g/mol
LogP2.23
Rot. Bonds3

About [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate (PubChem CID 8958658) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
PubChem CID8958658
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C19H18N2O5/c1-11-7-8-16(22)13(9-11)19(25)26-12(2)18(24)21-10-17(23)20-14-5-3-4-6-15(14)21/h3-9,12,22H,10H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyAAXXZINDNAFVQP-LBPRGKRZSA-N
XLogP2.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959416
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1H-indole-3-carboxylate
CID 9382321
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 9062638
4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 94434788
4-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8958012
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383608
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate
CID 9061813
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 43015024
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 45351272
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 45353885

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate?
The IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate (CID 8958658) is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate.
What is the SMILES notation for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate?
The canonical SMILES for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate is Cc1ccc(O)c(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate?
The InChIKey is AAXXZINDNAFVQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-7-8-16(22)13(9-11)19(25)26-12(2)18(24)21-10-17(23)20-14-5-3-4-6-15(14)21/h3-9,12,22H,10H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate?
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate has a molecular weight of 354.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 8958658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).