5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C20H21N3O2 — CID 13236332

IUPAC5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2N2CCN(C(=O)c3ccccc3)CC2)N1
InChIInChI=1S/C20H21N3O2/c24-19-10-9-16-17(21-19)7-4-8-18(16)22-11-13-23(14-12-22)20(25)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,21,24)
InChIKeyZESBANGBSMCBNB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.53
Rot. Bonds2

About 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one

5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13236332) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID13236332
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2N2CCN(C(=O)c3ccccc3)CC2)N1
InChIInChI=1S/C20H21N3O2/c24-19-10-9-16-17(21-19)7-4-8-18(16)22-11-13-23(14-12-22)20(25)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,21,24)
InChIKeyZESBANGBSMCBNB-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13243491
5-[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 155559588
(4S)-5-[2-(4-benzoylpiperazin-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7345011
2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
CID 168517670
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
1-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50895960
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
methyl 2-(4-benzoylpiperazin-1-yl)benzoate
CID 113078358
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84655921
5-[4-[3-(4-bromoanilino)-2-hydroxypropyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 155533868

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 13236332) is 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2N2CCN(C(=O)c3ccccc3)CC2)N1.
What is the InChIKey of 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZESBANGBSMCBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19-10-9-16-17(21-19)7-4-8-18(16)22-11-13-23(14-12-22)20(25)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,21,24).
What are the key properties of 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzoylpiperazin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13236332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).