3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C21H21N3O2 — CID 110362990

IUPAC3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=C(c1ccccc1)N1CCN(Cc2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C21H21N3O2/c25-20-18(14-17-8-4-5-9-19(17)22-20)15-23-10-12-24(13-11-23)21(26)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,22,25)
InChIKeyGXAUZYFGZCCWKG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.49
Rot. Bonds3

About 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one

3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 110362990) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID110362990
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESO=C(c1ccccc1)N1CCN(Cc2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C21H21N3O2/c25-20-18(14-17-8-4-5-9-19(17)22-20)15-23-10-12-24(13-11-23)21(26)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,22,25)
InChIKeyGXAUZYFGZCCWKG-UHFFFAOYSA-N
XLogP2.49
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
3-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110362987
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56759152
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-2-yl)ethane-1,2-dione
CID 10269957
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166267205
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
3-[[4-(2-methylpropyl)-5-oxo-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 126464222
3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55586709

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 110362990) is 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one is O=C(c1ccccc1)N1CCN(Cc2cc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is GXAUZYFGZCCWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20-18(14-17-8-4-5-9-19(17)22-20)15-23-10-12-24(13-11-23)21(26)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,22,25).
What are the key properties of 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 347.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 110362990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).