4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

C18H23N5O2 — CID 95299656

IUPAC4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cnn(C[C@@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H23N5O2/c1-12-8-19-22(9-12)10-13(2)20-14(3)18(25)23-11-17(24)21-15-6-4-5-7-16(15)23/h4-9,13-14,20H,10-11H2,1-3H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyCWXAZXOGHUPVOC-ZIAGYGMSSA-N
MW341.42 g/mol
LogP1.54
Rot. Bonds5

About 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 95299656) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID95299656
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cnn(C[C@@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H23N5O2/c1-12-8-19-22(9-12)10-13(2)20-14(3)18(25)23-11-17(24)21-15-6-4-5-7-16(15)23/h4-9,13-14,20H,10-11H2,1-3H3,(H,21,24)/t13-,14-/m1/s1
InChIKeyCWXAZXOGHUPVOC-ZIAGYGMSSA-N
XLogP1.54
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
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
4-[(2S)-2-(cyclooctylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8558893
4-[(2S)-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41154698
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propan-1-one
CID 95326277
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one (CID 95299656) is 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is Cc1cnn(C[C@@H](C)N[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is CWXAZXOGHUPVOC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-8-19-22(9-12)10-13(2)20-14(3)18(25)23-11-17(24)21-15-6-4-5-7-16(15)23/h4-9,13-14,20H,10-11H2,1-3H3,(H,21,24)/t13-,14-/m1/s1.
What are the key properties of 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 95299656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).