4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

C25H25N3O2 — CID 8641144

IUPAC4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc([C@@H](N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-12-14-20(15-13-17)24(19-8-4-3-5-9-19)26-18(2)25(30)28-16-23(29)27-21-10-6-7-11-22(21)28/h3-15,18,24,26H,16H2,1-2H3,(H,27,29)/t18-,24+/m1/s1
InChIKeyBZYWGGSXFSADCX-KOSHJBKYSA-N
MW399.49 g/mol
LogP4.05
Rot. Bonds5

About 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8641144) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8641144
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc([C@@H](N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-12-14-20(15-13-17)24(19-8-4-3-5-9-19)26-18(2)25(30)28-16-23(29)27-21-10-6-7-11-22(21)28/h3-15,18,24,26H,16H2,1-2H3,(H,27,29)/t18-,24+/m1/s1
InChIKeyBZYWGGSXFSADCX-KOSHJBKYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
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
4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95299656
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-(cyclooctylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8558893
N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 60639702
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-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 8641144) is 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc([C@@H](N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is BZYWGGSXFSADCX-KOSHJBKYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-12-14-20(15-13-17)24(19-8-4-3-5-9-19)26-18(2)25(30)28-16-23(29)27-21-10-6-7-11-22(21)28/h3-15,18,24,26H,16H2,1-2H3,(H,27,29)/t18-,24+/m1/s1.
What are the key properties of 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 399.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8641144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).