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

C19H18N4OS — CID 133357519

IUPAC1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(-c3cccs3)nc3ccccc23)CN1C1CC1
InChIInChI=1S/C19H18N4OS/c24-17-10-12(11-23(17)13-7-8-13)20-18-14-4-1-2-5-15(14)21-19(22-18)16-6-3-9-25-16/h1-6,9,12-13H,7-8,10-11H2,(H,20,21,22)
InChIKeyPDINMWPGRJWUTM-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.53
Rot. Bonds4

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

1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one (PubChem CID 133357519) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one
PubChem CID133357519
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(-c3cccs3)nc3ccccc23)CN1C1CC1
InChIInChI=1S/C19H18N4OS/c24-17-10-12(11-23(17)13-7-8-13)20-18-14-4-1-2-5-15(14)21-19(22-18)16-6-3-9-25-16/h1-6,9,12-13H,7-8,10-11H2,(H,20,21,22)
InChIKeyPDINMWPGRJWUTM-UHFFFAOYSA-N
XLogP3.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one (CID 133357519) is 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one is O=C1CC(Nc2nc(-c3cccs3)nc3ccccc23)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is PDINMWPGRJWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-17-10-12(11-23(17)13-7-8-13)20-18-14-4-1-2-5-15(14)21-19(22-18)16-6-3-9-25-16/h1-6,9,12-13H,7-8,10-11H2,(H,20,21,22).
What are the key properties of 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one?
1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 350.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133357519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).