4-(quinolin-2-ylmethylamino)pyrrolidin-2-one

C14H15N3O — CID 114155310

IUPAC4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc3ccccc3n2)CN1
InChIInChI=1S/C14H15N3O/c18-14-7-12(9-16-14)15-8-11-6-5-10-3-1-2-4-13(10)17-11/h1-6,12,15H,7-9H2,(H,16,18)
InChIKeyMMUZYCKVYXAKHK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.21
Rot. Bonds3

About 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one

4-(quinolin-2-ylmethylamino)pyrrolidin-2-one (PubChem CID 114155310) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
PubChem CID114155310
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc3ccccc3n2)CN1
InChIInChI=1S/C14H15N3O/c18-14-7-12(9-16-14)15-8-11-6-5-10-3-1-2-4-13(10)17-11/h1-6,12,15H,7-9H2,(H,16,18)
InChIKeyMMUZYCKVYXAKHK-UHFFFAOYSA-N
XLogP1.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(quinolin-2-ylmethylamino)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 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one (CID 114155310) is 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one is O=C1CC(NCc2ccc3ccccc3n2)CN1.
What is the InChIKey of 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one?
The InChIKey is MMUZYCKVYXAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-7-12(9-16-14)15-8-11-6-5-10-3-1-2-4-13(10)17-11/h1-6,12,15H,7-9H2,(H,16,18).
What are the key properties of 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one?
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 114155310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).