1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one

C26H25N3O2 — CID 19030874

IUPAC1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccccc1)N1CCN(c2ccc(N3C(=O)CCc4ccccc43)cc2)CC1
InChIInChI=1S/C26H25N3O2/c30-25-15-10-20-6-4-5-9-24(20)29(25)23-13-11-22(12-14-23)27-16-18-28(19-17-27)26(31)21-7-2-1-3-8-21/h1-9,11-14H,10,15-19H2
InChIKeyMWWCFUILYBYCJU-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.26
Rot. Bonds3

About 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one

1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one (PubChem CID 19030874) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one
PubChem CID19030874
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccccc1)N1CCN(c2ccc(N3C(=O)CCc4ccccc43)cc2)CC1
InChIInChI=1S/C26H25N3O2/c30-25-15-10-20-6-4-5-9-24(20)29(25)23-13-11-22(12-14-23)27-16-18-28(19-17-27)26(31)21-7-2-1-3-8-21/h1-9,11-14H,10,15-19H2
InChIKeyMWWCFUILYBYCJU-UHFFFAOYSA-N
XLogP4.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9153319
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
5-(4-benzoylpiperazin-1-yl)-1H-pyridin-2-one
CID 110735921
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2556963
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-phenylmethanone
CID 113079599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one (CID 19030874) is 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one is O=C(c1ccccc1)N1CCN(c2ccc(N3C(=O)CCc4ccccc43)cc2)CC1.
What is the InChIKey of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one?
The InChIKey is MWWCFUILYBYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-25-15-10-20-6-4-5-9-24(20)29(25)23-13-11-22(12-14-23)27-16-18-28(19-17-27)26(31)21-7-2-1-3-8-21/h1-9,11-14H,10,15-19H2.
What are the key properties of 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one?
1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one has a molecular weight of 411.51 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 19030874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).