1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione

C14H10N2O3 — CID 45038560

IUPAC1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N=C2C=C(N3C(=O)C=CC3=O)C=CC12
InChIInChI=1S/C14H10N2O3/c1-8-6-12(17)15-11-7-9(2-3-10(8)11)16-13(18)4-5-14(16)19/h2-7,10H,1H3
InChIKeyDXONHLXZQJFCBG-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.91
Rot. Bonds1

About 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione

1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione (PubChem CID 45038560) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione
PubChem CID45038560
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N=C2C=C(N3C(=O)C=CC3=O)C=CC12
InChIInChI=1S/C14H10N2O3/c1-8-6-12(17)15-11-7-9(2-3-10(8)11)16-13(18)4-5-14(16)19/h2-7,10H,1H3
InChIKeyDXONHLXZQJFCBG-UHFFFAOYSA-N
XLogP0.91
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione (CID 45038560) is 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione is CC1=CC(=O)N=C2C=C(N3C(=O)C=CC3=O)C=CC12.
What is the InChIKey of 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione?
The InChIKey is DXONHLXZQJFCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-6-12(17)15-11-7-9(2-3-10(8)11)16-13(18)4-5-14(16)19/h2-7,10H,1H3.
What are the key properties of 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione?
1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione has a molecular weight of 254.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-oxo-4aH-quinolin-7-yl)pyrrole-2,5-dione is sourced from PubChem (CID 45038560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).