4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one

C15H15ClN4O — CID 133357462

IUPAC4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(Nc2ncnc3cc(Cl)ccc23)CN1C1CC1
InChIInChI=1S/C15H15ClN4O/c16-9-1-4-12-13(5-9)17-8-18-15(12)19-10-6-14(21)20(7-10)11-2-3-11/h1,4-5,8,10-11H,2-3,6-7H2,(H,17,18,19)
InChIKeyRYGVFVJNDGWSSE-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.46
Rot. Bonds3

About 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one

4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one (PubChem CID 133357462) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
PubChem CID133357462
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(Nc2ncnc3cc(Cl)ccc23)CN1C1CC1
InChIInChI=1S/C15H15ClN4O/c16-9-1-4-12-13(5-9)17-8-18-15(12)19-10-6-14(21)20(7-10)11-2-3-11/h1,4-5,8,10-11H,2-3,6-7H2,(H,17,18,19)
InChIKeyRYGVFVJNDGWSSE-UHFFFAOYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-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 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one (CID 133357462) is 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one is O=C1CC(Nc2ncnc3cc(Cl)ccc23)CN1C1CC1.
What is the InChIKey of 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is RYGVFVJNDGWSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-9-1-4-12-13(5-9)17-8-18-15(12)19-10-6-14(21)20(7-10)11-2-3-11/h1,4-5,8,10-11H,2-3,6-7H2,(H,17,18,19).
What are the key properties of 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one?
4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 302.76 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinazolin-4-yl)amino]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 133357462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).