[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate

C19H23N3O5 — CID 51968196

IUPAC[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESC[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3O5/c1-13(18(25)21-10-4-7-14-6-2-3-8-15(14)21)27-17(24)9-5-11-22-16(23)12-20-19(22)26/h2-3,6,8,13H,4-5,7,9-12H2,1H3,(H,20,26)/t13-/m0/s1
InChIKeyZGIVEXCCURDKMD-ZDUSSCGKSA-N
MW373.41 g/mol
LogP1.23
Rot. Bonds6

About [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate

[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 51968196) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Name[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID51968196
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
SMILESC[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3O5/c1-13(18(25)21-10-4-7-14-6-2-3-8-15(14)21)27-17(24)9-5-11-22-16(23)12-20-19(22)26/h2-3,6,8,13H,4-5,7,9-12H2,1H3,(H,20,26)/t13-/m0/s1
InChIKeyZGIVEXCCURDKMD-ZDUSSCGKSA-N
XLogP1.23
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(thiophene-3-carbonylamino)butanoate
CID 46518997
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 2426464
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 29246718
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate
CID 7196346
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 42927981
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734594
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 42972023
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516050
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18157994
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 16524104

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate (CID 51968196) is [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate is C[C@H](OC(=O)CCCN1C(=O)CNC1=O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is ZGIVEXCCURDKMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-13(18(25)21-10-4-7-14-6-2-3-8-15(14)21)27-17(24)9-5-11-22-16(23)12-20-19(22)26/h2-3,6,8,13H,4-5,7,9-12H2,1H3,(H,20,26)/t13-/m0/s1.
What are the key properties of [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate?
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 373.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 51968196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).