6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C17H23N3O — CID 13236323

IUPAC6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESC/C=C/CN1CCN(c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H23N3O/c1-2-3-8-19-9-11-20(12-10-19)15-5-6-16-14(13-15)4-7-17(21)18-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21)/b3-2+
InChIKeyVLGPHNPCYBSZAA-NSCUHMNNSA-N
MW285.39 g/mol
LogP2.27
Rot. Bonds3

About 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13236323) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13236323
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESC/C=C/CN1CCN(c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C17H23N3O/c1-2-3-8-19-9-11-20(12-10-19)15-5-6-16-14(13-15)4-7-17(21)18-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21)/b3-2+
InChIKeyVLGPHNPCYBSZAA-NSCUHMNNSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 14627677
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 54568797
6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 15789043
N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640813
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640841
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640837
6-(4-hydroxypiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one;[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-4-yl] acetate
CID 159193149
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13064857
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120862

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 13236323) is 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is C/C=C/CN1CCN(c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VLGPHNPCYBSZAA-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-8-19-9-11-20(12-10-19)15-5-6-16-14(13-15)4-7-17(21)18-16/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,21)/b3-2+.
What are the key properties of 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-but-2-enyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13236323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).