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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Related Compounds

(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 95631707
(5S)-5-cyclopropyl-5-ethyl-3-[(2-methylquinolin-4-yl)methyl]imidazolidine-2,4-dione
CID 99783378
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
CID 113441333
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
CID 79235165
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798
N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590

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).