3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione

C14H14N2O2 — CID 63929987

IUPAC3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc3c(c2)NCCC3)C1=O
InChIInChI=1S/C14H14N2O2/c1-9-7-13(17)16(14(9)18)11-5-4-10-3-2-6-15-12(10)8-11/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyJQAWPAZWLWRQLY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.86
Rot. Bonds1

About 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione

3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione (PubChem CID 63929987) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione
PubChem CID63929987
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc3c(c2)NCCC3)C1=O
InChIInChI=1S/C14H14N2O2/c1-9-7-13(17)16(14(9)18)11-5-4-10-3-2-6-15-12(10)8-11/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyJQAWPAZWLWRQLY-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione (CID 63929987) is 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione is CC1=CC(=O)N(c2ccc3c(c2)NCCC3)C1=O.
What is the InChIKey of 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione?
The InChIKey is JQAWPAZWLWRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-13(17)16(14(9)18)11-5-4-10-3-2-6-15-12(10)8-11/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione?
3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione has a molecular weight of 242.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione is sourced from PubChem (CID 63929987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).