3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one

C19H25N3O — CID 108765024

IUPAC3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
SMILESCc1cc(N2CCN(C(=O)CC(C)C)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O/c1-14(2)12-19(23)22-10-8-21(9-11-22)18-13-15(3)16-6-4-5-7-17(16)20-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyCICQBPLCVSCQHG-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.24
Rot. Bonds3

About 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one

3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 108765024) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
PubChem CID108765024
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
SMILESCc1cc(N2CCN(C(=O)CC(C)C)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O/c1-14(2)12-19(23)22-10-8-21(9-11-22)18-13-15(3)16-6-4-5-7-17(16)20-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyCICQBPLCVSCQHG-UHFFFAOYSA-N
XLogP3.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108765041
2-[4-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108765059
4-(2-methylphenoxy)-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765125
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
5-bromo-2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108742586
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 108742584
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 70703521
(3S)-3-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 91636914

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one (CID 108765024) is 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one is Cc1cc(N2CCN(C(=O)CC(C)C)CC2)nc2ccccc12.
What is the InChIKey of 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is CICQBPLCVSCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)12-19(23)22-10-8-21(9-11-22)18-13-15(3)16-6-4-5-7-17(16)20-18/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one?
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 108765024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).