4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one

C20H21N3O — CID 13317108

IUPAC4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C20H21N3O/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,21,24)
InChIKeyGAFWUMCSUVHVGL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.85
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one

4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one (PubChem CID 13317108) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
PubChem CID13317108
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C20H21N3O/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,21,24)
InChIKeyGAFWUMCSUVHVGL-UHFFFAOYSA-N
XLogP2.85
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride
CID 70499032
4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide
CID 177003378
6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 10661952
4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 31280079
4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one
CID 155532553
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42915341
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 169448285
4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one
CID 36856446
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 154779983
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one (CID 13317108) is 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one is O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
The InChIKey is GAFWUMCSUVHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,21,24).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one?
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one has a molecular weight of 319.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 13317108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).