4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one

C24H23N3O2 — CID 8596462

IUPAC4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C24H23N3O2/c1-17(24(29)27-16-22(28)26-20-14-8-9-15-21(20)27)25-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23,25H,16H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyTYHSUOBUIOUXRI-KRWDZBQOSA-N
MW385.47 g/mol
LogP3.74
Rot. Bonds5

About 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8596462) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8596462
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C24H23N3O2/c1-17(24(29)27-16-22(28)26-20-14-8-9-15-21(20)27)25-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23,25H,16H2,1H3,(H,26,28)/t17-/m0/s1
InChIKeyTYHSUOBUIOUXRI-KRWDZBQOSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144
4-[(2S)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26630905
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-(cyclooctylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8558893
4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95299656
4-[(2S)-2-(benzhydrylamino)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 41322400
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[(2S)-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41154698
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 8596462) is 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one is C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is TYHSUOBUIOUXRI-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17(24(29)27-16-22(28)26-20-14-8-9-15-21(20)27)25-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23,25H,16H2,1H3,(H,26,28)/t17-/m0/s1.
What are the key properties of 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8596462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).