6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

C23H25N3O2 — CID 110363164

IUPAC6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cccc(C(=O)N2CCN(Cc3cc4cc(C)ccc4[nH]c3=O)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-16-4-3-5-18(12-16)23(28)26-10-8-25(9-11-26)15-20-14-19-13-17(2)6-7-21(19)24-22(20)27/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27)
InChIKeyXTNYXTDAJQSOKA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.10
Rot. Bonds3

About 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 110363164) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID110363164
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cccc(C(=O)N2CCN(Cc3cc4cc(C)ccc4[nH]c3=O)CC2)c1
InChIInChI=1S/C23H25N3O2/c1-16-4-3-5-18(12-16)23(28)26-10-8-25(9-11-26)15-20-14-19-13-17(2)6-7-21(19)24-22(20)27/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27)
InChIKeyXTNYXTDAJQSOKA-UHFFFAOYSA-N
XLogP3.10
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.10
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
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 4776530
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56710630
6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363280
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 110363164) is 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is Cc1cccc(C(=O)N2CCN(Cc3cc4cc(C)ccc4[nH]c3=O)CC2)c1.
What is the InChIKey of 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is XTNYXTDAJQSOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-4-3-5-18(12-16)23(28)26-10-8-25(9-11-26)15-20-14-19-13-17(2)6-7-21(19)24-22(20)27/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,27).
What are the key properties of 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 110363164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).