4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

C21H24N2O3 — CID 94434788

IUPAC4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C21H24N2O3/c1-13(2)16-10-9-14(3)11-19(16)26-15(4)21(25)23-12-20(24)22-17-7-5-6-8-18(17)23/h5-11,13,15H,12H2,1-4H3,(H,22,24)/t15-/m0/s1
InChIKeyRLPXICDSHISLEY-HNNXBMFYSA-N
MW352.43 g/mol
LogP3.87
Rot. Bonds4

About 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 94434788) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID94434788
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C21H24N2O3/c1-13(2)16-10-9-14(3)11-19(16)26-15(4)21(25)23-12-20(24)22-17-7-5-6-8-18(17)23/h5-11,13,15H,12H2,1-4H3,(H,22,24)/t15-/m0/s1
InChIKeyRLPXICDSHISLEY-HNNXBMFYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8958012
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958658
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
4-[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 100511695
dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740534
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8886531
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 94055687
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383608

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 94434788) is 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is RLPXICDSHISLEY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13(2)16-10-9-14(3)11-19(16)26-15(4)21(25)23-12-20(24)22-17-7-5-6-8-18(17)23/h5-11,13,15H,12H2,1-4H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 94434788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).