[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea

C12H14N4O3 — CID 95040569

IUPAC[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
SMILESC[C@H](NC(N)=O)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N4O3/c1-7(14-12(13)19)11(18)16-6-10(17)15-8-4-2-3-5-9(8)16/h2-5,7H,6H2,1H3,(H,15,17)(H3,13,14,19)/t7-/m0/s1
InChIKeyJWCRZOFOZKDYHQ-ZETCQYMHSA-N
MW262.27 g/mol
LogP0.03
Rot. Bonds2

About [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea (PubChem CID 95040569) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
PubChem CID95040569
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
SMILESC[C@H](NC(N)=O)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N4O3/c1-7(14-12(13)19)11(18)16-6-10(17)15-8-4-2-3-5-9(8)16/h2-5,7H,6H2,1H3,(H,15,17)(H3,13,14,19)/t7-/m0/s1
InChIKeyJWCRZOFOZKDYHQ-ZETCQYMHSA-N
XLogP0.03
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26630905
4-[(2S)-2-(cyclooctylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8558893
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
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144
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
4-[(2S)-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41154698
4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95299656

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea?
The IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea (CID 95040569) is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea.
What is the SMILES notation for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea?
The canonical SMILES for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea is C[C@H](NC(N)=O)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea?
The InChIKey is JWCRZOFOZKDYHQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7(14-12(13)19)11(18)16-6-10(17)15-8-4-2-3-5-9(8)16/h2-5,7H,6H2,1H3,(H,15,17)(H3,13,14,19)/t7-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea?
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea has a molecular weight of 262.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 95040569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).