4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one

C13H14N4O — CID 106182802

IUPAC4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one
SMILESNc1cccc2c(NC3CNC(=O)C3)ccnc12
InChIInChI=1S/C13H14N4O/c14-10-3-1-2-9-11(4-5-15-13(9)10)17-8-6-12(18)16-7-8/h1-5,8H,6-7,14H2,(H,15,17)(H,16,18)
InChIKeyCHWHWWDIDGXUBV-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.12
Rot. Bonds2

About 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one

4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106182802) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one
PubChem CID106182802
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one
SMILESNc1cccc2c(NC3CNC(=O)C3)ccnc12
InChIInChI=1S/C13H14N4O/c14-10-3-1-2-9-11(4-5-15-13(9)10)17-8-6-12(18)16-7-8/h1-5,8H,6-7,14H2,(H,15,17)(H,16,18)
InChIKeyCHWHWWDIDGXUBV-UHFFFAOYSA-N
XLogP1.12
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopropylquinoline-4,8-diamine
CID 83059537
5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one
CID 63660995
4-N-(oxan-3-yl)quinoline-4,8-diamine
CID 83060374
4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine
CID 83061261
4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine
CID 83060658
4-N-(3-ethylcyclohexyl)quinoline-4,8-diamine
CID 83060747
3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106251837
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
5-N-(2,3-dihydro-1H-inden-2-yl)quinoline-5,8-diamine
CID 107844436
4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
CID 106198193
2-amino-3-[(5-oxopyrrolidin-3-yl)amino]benzonitrile
CID 106182731
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
CID 105023349

Frequently Asked Questions

What is the IUPAC name of 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one (CID 106182802) is 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one is Nc1cccc2c(NC3CNC(=O)C3)ccnc12.
What is the InChIKey of 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is CHWHWWDIDGXUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-10-3-1-2-9-11(4-5-15-13(9)10)17-8-6-12(18)16-7-8/h1-5,8H,6-7,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one?
4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106182802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).