4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one

C22H23N3O2 — CID 67715615

IUPAC4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one
SMILESO=C(CCc1cc(=O)n(N2CCNCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21(17-6-2-1-3-7-17)11-10-18-16-22(27)25(24-14-12-23-13-15-24)20-9-5-4-8-19(18)20/h1-9,16,23H,10-15H2
InChIKeyDZBCRJXOXXUFOR-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.36
Rot. Bonds5

About 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one

4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one (PubChem CID 67715615) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one.

Molecular Properties

Compound Name4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one
PubChem CID67715615
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one
SMILESO=C(CCc1cc(=O)n(N2CCNCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H23N3O2/c26-21(17-6-2-1-3-7-17)11-10-18-16-22(27)25(24-14-12-23-13-15-24)20-9-5-4-8-19(18)20/h1-9,16,23H,10-15H2
InChIKeyDZBCRJXOXXUFOR-UHFFFAOYSA-N
XLogP2.36
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-phenyl-3-(2-phenylphenyl)propan-1-one
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CID 14472243
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
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3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
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CID 143559381

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one?
The IUPAC name of 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one (CID 67715615) is 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one.
What is the SMILES notation for 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one?
The canonical SMILES for 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one is O=C(CCc1cc(=O)n(N2CCNCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one?
The InChIKey is DZBCRJXOXXUFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(17-6-2-1-3-7-17)11-10-18-16-22(27)25(24-14-12-23-13-15-24)20-9-5-4-8-19(18)20/h1-9,16,23H,10-15H2.
What are the key properties of 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one?
4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one has a molecular weight of 361.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-phenylpropyl)-1-piperazin-1-ylquinolin-2-one is sourced from PubChem (CID 67715615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).