4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

C16H17N3O3 — CID 8919402

IUPAC4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-11(14-7-4-8-22-14)17-9-16(21)19-10-15(20)18-12-5-2-3-6-13(12)19/h2-8,11,17H,9-10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyDOESEAUFSBMNGO-NSHDSACASA-N
MW299.33 g/mol
LogP1.92
Rot. Bonds4

About 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8919402) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8919402
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-11(14-7-4-8-22-14)17-9-16(21)19-10-15(20)18-12-5-2-3-6-13(12)19/h2-8,11,17H,9-10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyDOESEAUFSBMNGO-NSHDSACASA-N
XLogP1.92
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8755138
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2091720
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81400767
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
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-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 84588587
N-[1-(2-chlorophenyl)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 51175249
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 8919402) is 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is C[C@H](NCC(=O)N1CC(=O)Nc2ccccc21)c1ccco1.
What is the InChIKey of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is DOESEAUFSBMNGO-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(14-7-4-8-22-14)17-9-16(21)19-10-15(20)18-12-5-2-3-6-13(12)19/h2-8,11,17H,9-10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8919402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).