1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione

C15H19N3O3 — CID 81108587

IUPAC1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2CCCc3[nH]c(=O)ccc32)C1=O
InChIInChI=1S/C15H19N3O3/c1-18-14(20)8-6-12(15(18)21)16-10-3-2-4-11-9(10)5-7-13(19)17-11/h5,7,10,12,16H,2-4,6,8H2,1H3,(H,17,19)
InChIKeyCHTWGQCQOAJBCI-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.49
Rot. Bonds2

About 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione

1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione (PubChem CID 81108587) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione
PubChem CID81108587
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2CCCc3[nH]c(=O)ccc32)C1=O
InChIInChI=1S/C15H19N3O3/c1-18-14(20)8-6-12(15(18)21)16-10-3-2-4-11-9(10)5-7-13(19)17-11/h5,7,10,12,16H,2-4,6,8H2,1H3,(H,17,19)
InChIKeyCHTWGQCQOAJBCI-UHFFFAOYSA-N
XLogP0.49
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
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 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione (CID 81108587) is 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione is CN1C(=O)CCC(NC2CCCc3[nH]c(=O)ccc32)C1=O.
What is the InChIKey of 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione?
The InChIKey is CHTWGQCQOAJBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-14(20)8-6-12(15(18)21)16-10-3-2-4-11-9(10)5-7-13(19)17-11/h5,7,10,12,16H,2-4,6,8H2,1H3,(H,17,19).
What are the key properties of 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione?
1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione has a molecular weight of 289.33 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 81108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).