3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione

C16H17N3O2 — CID 79232247

IUPAC3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
SMILESCc1cc(CN2C(=O)CCC(N)C2=O)c2ccccc2n1
InChIInChI=1S/C16H17N3O2/c1-10-8-11(12-4-2-3-5-14(12)18-10)9-19-15(20)7-6-13(17)16(19)21/h2-5,8,13H,6-7,9,17H2,1H3
InChIKeyTZSXUYWVOXKPFH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.52
Rot. Bonds2

About 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione

3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione (PubChem CID 79232247) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
PubChem CID79232247
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
SMILESCc1cc(CN2C(=O)CCC(N)C2=O)c2ccccc2n1
InChIInChI=1S/C16H17N3O2/c1-10-8-11(12-4-2-3-5-14(12)18-10)9-19-15(20)7-6-13(17)16(19)21/h2-5,8,13H,6-7,9,17H2,1H3
InChIKeyTZSXUYWVOXKPFH-UHFFFAOYSA-N
XLogP1.52
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione (CID 79232247) is 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione is Cc1cc(CN2C(=O)CCC(N)C2=O)c2ccccc2n1.
What is the InChIKey of 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione?
The InChIKey is TZSXUYWVOXKPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-8-11(12-4-2-3-5-14(12)18-10)9-19-15(20)7-6-13(17)16(19)21/h2-5,8,13H,6-7,9,17H2,1H3.
What are the key properties of 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione?
3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione has a molecular weight of 283.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 79232247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).