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

C14H17N3O3 — CID 81107463

IUPAC1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2CCCc3[nH]c(=O)ccc32)C1=O
InChIInChI=1S/C14H17N3O3/c1-17-13(19)7-11(14(17)20)15-9-3-2-4-10-8(9)5-6-12(18)16-10/h5-6,9,11,15H,2-4,7H2,1H3,(H,16,18)
InChIKeyUYQJMXUOVFCZPA-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.10
Rot. Bonds2

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

1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione (PubChem CID 81107463) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione
PubChem CID81107463
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NC2CCCc3[nH]c(=O)ccc32)C1=O
InChIInChI=1S/C14H17N3O3/c1-17-13(19)7-11(14(17)20)15-9-3-2-4-10-8(9)5-6-12(18)16-10/h5-6,9,11,15H,2-4,7H2,1H3,(H,16,18)
InChIKeyUYQJMXUOVFCZPA-UHFFFAOYSA-N
XLogP0.10
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.10
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]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione (CID 81107463) is 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione is CN1C(=O)CC(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]pyrrolidine-2,5-dione?
The InChIKey is UYQJMXUOVFCZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-13(19)7-11(14(17)20)15-9-3-2-4-10-8(9)5-6-12(18)16-10/h5-6,9,11,15H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione?
1-methyl-3-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of 0.10, 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]pyrrolidine-2,5-dione is sourced from PubChem (CID 81107463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).