4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one

C21H25N3O4 — CID 8845745

IUPAC4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(CN(C)[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-14(23(2)12-15-9-10-16(27-3)11-19(15)28-4)21(26)24-13-20(25)22-17-7-5-6-8-18(17)24/h5-11,14H,12-13H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeySPWMKUHRGXXBRU-AWEZNQCLSA-N
MW383.45 g/mol
LogP2.51
Rot. Bonds6

About 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8845745) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8845745
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(CN(C)[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C21H25N3O4/c1-14(23(2)12-15-9-10-16(27-3)11-19(15)28-4)21(26)24-13-20(25)22-17-7-5-6-8-18(17)24/h5-11,14H,12-13H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeySPWMKUHRGXXBRU-AWEZNQCLSA-N
XLogP2.51
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[(2S)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8680555
4-[(2R)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8789013
4-[(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8924570
4-[(2R)-2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 124616880
N-(3-methoxyphenyl)-N-[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]methanesulfonamide
CID 56699753
2-(2,4-dimethoxyphenyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55750843
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 11934382
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-methoxyphenyl)acetate
CID 8885998
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8886531
4-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9103714
N-(2-ethylphenyl)-2-[methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]amino]acetamide
CID 8789449

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 8845745) is 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one is COc1ccc(CN(C)[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(OC)c1.
What is the InChIKey of 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SPWMKUHRGXXBRU-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(23(2)12-15-9-10-16(27-3)11-19(15)28-4)21(26)24-13-20(25)22-17-7-5-6-8-18(17)24/h5-11,14H,12-13H2,1-4H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 383.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8845745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).