2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

C22H23N3O2 — CID 22580384

IUPAC2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-6-8-17(9-7-16)22(27)25-12-10-24(11-13-25)15-18-14-21(26)19-4-2-3-5-20(19)23-18/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyLZFBLQUZUPRSHR-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.79
Rot. Bonds3

About 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 22580384) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID22580384
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-6-8-17(9-7-16)22(27)25-12-10-24(11-13-25)15-18-14-21(26)19-4-2-3-5-20(19)23-18/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyLZFBLQUZUPRSHR-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 ≤ 500361.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394
(3,4-difluorophenyl)-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methanone
CID 110397417
6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 72922187
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 72879344
8-chloro-2-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580413
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 166334205
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
2-[4-(4-methylbenzoyl)piperazin-1-yl]acetic acid
CID 2050629
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (CID 22580384) is 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc(C(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is LZFBLQUZUPRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-6-8-17(9-7-16)22(27)25-12-10-24(11-13-25)15-18-14-21(26)19-4-2-3-5-20(19)23-18/h2-9,14H,10-13,15H2,1H3,(H,23,26).
What are the key properties of 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 361.45 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 2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 22580384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).