3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one

C17H21N3O — CID 154741470

IUPAC3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one
SMILESCc1ccc2c(C)cc(NCC3CCCNC3=O)nc2c1
InChIInChI=1S/C17H21N3O/c1-11-5-6-14-12(2)9-16(20-15(14)8-11)19-10-13-4-3-7-18-17(13)21/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAROOEYQLBKKQOB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.79
Rot. Bonds3

About 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one

3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one (PubChem CID 154741470) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one
PubChem CID154741470
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one
SMILESCc1ccc2c(C)cc(NCC3CCCNC3=O)nc2c1
InChIInChI=1S/C17H21N3O/c1-11-5-6-14-12(2)9-16(20-15(14)8-11)19-10-13-4-3-7-18-17(13)21/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAROOEYQLBKKQOB-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one (CID 154741470) is 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one is Cc1ccc2c(C)cc(NCC3CCCNC3=O)nc2c1.
What is the InChIKey of 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one?
The InChIKey is AROOEYQLBKKQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-6-14-12(2)9-16(20-15(14)8-11)19-10-13-4-3-7-18-17(13)21/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one?
3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,7-dimethylquinolin-2-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 154741470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).