3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

C22H23N3O2 — CID 110363057

IUPAC3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN3CCN(C(=O)c4ccccc4)CC3)c(=O)[nH]c12
InChIInChI=1S/C22H23N3O2/c1-16-6-5-9-18-14-19(21(26)23-20(16)18)15-24-10-12-25(13-11-24)22(27)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyCQIRAQZVJAVJNL-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.79
Rot. Bonds3

About 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one

3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 110363057) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
PubChem CID110363057
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(CN3CCN(C(=O)c4ccccc4)CC3)c(=O)[nH]c12
InChIInChI=1S/C22H23N3O2/c1-16-6-5-9-18-14-19(21(26)23-20(16)18)15-24-10-12-25(13-11-24)22(27)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyCQIRAQZVJAVJNL-UHFFFAOYSA-N
XLogP2.79
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363086
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088
8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 56702172
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
8-methyl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 91782616
4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
CID 9223197
[4-(1H-indol-2-ylmethyl)piperazin-1-yl]-(7-methyl-1H-indol-2-yl)methanone
CID 155953233

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one (CID 110363057) is 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(CN3CCN(C(=O)c4ccccc4)CC3)c(=O)[nH]c12.
What is the InChIKey of 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
The InChIKey is CQIRAQZVJAVJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-6-5-9-18-14-19(21(26)23-20(16)18)15-24-10-12-25(13-11-24)22(27)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,23,26).
What are the key properties of 3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one?
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 361.44 g/mol, XLogP of 2.79, 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]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 110363057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).