4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

C21H19N3O3 — CID 8755138

IUPAC4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN[C@H](c2ccccc2)c2ccco2)c2ccccc2N1
InChIInChI=1S/C21H19N3O3/c25-19-14-24(17-10-5-4-9-16(17)23-19)20(26)13-22-21(18-11-6-12-27-18)15-7-2-1-3-8-15/h1-12,21-22H,13-14H2,(H,23,25)/t21-/m1/s1
InChIKeyVPDBOQJREPAVFO-OAQYLSRUSA-N
MW361.40 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8755138) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8755138
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN[C@H](c2ccccc2)c2ccco2)c2ccccc2N1
InChIInChI=1S/C21H19N3O3/c25-19-14-24(17-10-5-4-9-16(17)23-19)20(26)13-22-21(18-11-6-12-27-18)15-7-2-1-3-8-15/h1-12,21-22H,13-14H2,(H,23,25)/t21-/m1/s1
InChIKeyVPDBOQJREPAVFO-OAQYLSRUSA-N
XLogP2.94
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8919402
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8756296
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144
(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid
CID 7709245
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8756076
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2091720
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-[2-(2-phenoxyanilino)acetyl]-1,3-dihydroquinoxalin-2-one
CID 9327531
4-[2-(2-bromophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 27087539

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 8755138) is 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CN[C@H](c2ccccc2)c2ccco2)c2ccccc2N1.
What is the InChIKey of 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is VPDBOQJREPAVFO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19-14-24(17-10-5-4-9-16(17)23-19)20(26)13-22-21(18-11-6-12-27-18)15-7-2-1-3-8-15/h1-12,21-22H,13-14H2,(H,23,25)/t21-/m1/s1.
What are the key properties of 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 361.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8755138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).