1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one

C17H16N4OS — CID 47092340

IUPAC1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CC(Nc2nc(-c3cccs3)nc3ccccc23)CC1=O
InChIInChI=1S/C17H16N4OS/c1-21-10-11(9-15(21)22)18-16-12-5-2-3-6-13(12)19-17(20-16)14-7-4-8-23-14/h2-8,11H,9-10H2,1H3,(H,18,19,20)
InChIKeyRXXULBPJGKLNRG-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.00
Rot. Bonds3

About 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one

1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one (PubChem CID 47092340) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one
PubChem CID47092340
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one
SMILESCN1CC(Nc2nc(-c3cccs3)nc3ccccc23)CC1=O
InChIInChI=1S/C17H16N4OS/c1-21-10-11(9-15(21)22)18-16-12-5-2-3-6-13(12)19-17(20-16)14-7-4-8-23-14/h2-8,11H,9-10H2,1H3,(H,18,19,20)
InChIKeyRXXULBPJGKLNRG-UHFFFAOYSA-N
XLogP3.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one 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-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one (CID 47092340) is 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one is CN1CC(Nc2nc(-c3cccs3)nc3ccccc23)CC1=O.
What is the InChIKey of 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is RXXULBPJGKLNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-21-10-11(9-15(21)22)18-16-12-5-2-3-6-13(12)19-17(20-16)14-7-4-8-23-14/h2-8,11H,9-10H2,1H3,(H,18,19,20).
What are the key properties of 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 324.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 47092340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).