4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one

C13H12ClN3O — CID 168701052

IUPAC4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(Cl)nc3ccccc23)C1
InChIInChI=1S/C13H12ClN3O/c14-12-6-11(17-7-8(15)5-13(17)18)9-3-1-2-4-10(9)16-12/h1-4,6,8H,5,7,15H2
InChIKeyIHEPDCBHHJWEMO-UHFFFAOYSA-N
MW261.71 g/mol
LogP1.95
Rot. Bonds1

About 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one

4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one (PubChem CID 168701052) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
PubChem CID168701052
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(Cl)nc3ccccc23)C1
InChIInChI=1S/C13H12ClN3O/c14-12-6-11(17-7-8(15)5-13(17)18)9-3-1-2-4-10(9)16-12/h1-4,6,8H,5,7,15H2
InChIKeyIHEPDCBHHJWEMO-UHFFFAOYSA-N
XLogP1.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-amino-1-(2-chloroquinolin-4-yl)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

Related Compounds

1-(2-chloroquinolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710443
1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664003
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 168701054
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546
4-amino-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-one
CID 168701308
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
4-amino-1-(5-bromoquinazolin-2-yl)pyrrolidin-2-one
CID 168701329
4-amino-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168700491
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
S-[[1-(2-methylquinolin-4-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667426

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one (CID 168701052) is 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one is NC1CC(=O)N(c2cc(Cl)nc3ccccc23)C1.
What is the InChIKey of 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one?
The InChIKey is IHEPDCBHHJWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-12-6-11(17-7-8(15)5-13(17)18)9-3-1-2-4-10(9)16-12/h1-4,6,8H,5,7,15H2.
What are the key properties of 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one?
4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one has a molecular weight of 261.71 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168701052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).