4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one

C13H12N4O3 — CID 46238574

IUPAC4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc([N+](=O)[O-])c3cccnc23)CN1
InChIInChI=1S/C13H12N4O3/c18-12-6-8(7-15-12)16-10-3-4-11(17(19)20)9-2-1-5-14-13(9)10/h1-5,8,16H,6-7H2,(H,15,18)
InChIKeyMMHROGBQDSNMEQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.44
Rot. Bonds3

About 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one

4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one (PubChem CID 46238574) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
PubChem CID46238574
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc([N+](=O)[O-])c3cccnc23)CN1
InChIInChI=1S/C13H12N4O3/c18-12-6-8(7-15-12)16-10-3-4-11(17(19)20)9-2-1-5-14-13(9)10/h1-5,8,16H,6-7H2,(H,15,18)
InChIKeyMMHROGBQDSNMEQ-UHFFFAOYSA-N
XLogP1.44
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 133357470
N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 31655000
N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
CID 133399168
N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
CID 103704192
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 133348605
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
N-(3-ethylsulfinylcyclohexyl)-5-nitroquinolin-8-amine
CID 133338025
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
CID 133439270
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one
CID 106182802
N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
CID 43599066

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one (CID 46238574) is 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one is O=C1CC(Nc2ccc([N+](=O)[O-])c3cccnc23)CN1.
What is the InChIKey of 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one?
The InChIKey is MMHROGBQDSNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-12-6-8(7-15-12)16-10-3-4-11(17(19)20)9-2-1-5-14-13(9)10/h1-5,8,16H,6-7H2,(H,15,18).
What are the key properties of 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one?
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one has a molecular weight of 272.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 46238574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).