3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one

C14H16N4O — CID 106251837

IUPAC3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ccnc3c(N)cccc23)C1=O
InChIInChI=1S/C14H16N4O/c1-18-8-6-12(14(18)19)17-11-5-7-16-13-9(11)3-2-4-10(13)15/h2-5,7,12H,6,8,15H2,1H3,(H,16,17)
InChIKeyCAFJGKHBDAEGAV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.46
Rot. Bonds2

About 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one

3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106251837) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106251837
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2ccnc3c(N)cccc23)C1=O
InChIInChI=1S/C14H16N4O/c1-18-8-6-12(14(18)19)17-11-5-7-16-13-9(11)3-2-4-10(13)15/h2-5,7,12H,6,8,15H2,1H3,(H,16,17)
InChIKeyCAFJGKHBDAEGAV-UHFFFAOYSA-N
XLogP1.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine
CID 83061261
4-N-(1-methylpiperidin-3-yl)quinoline-4,8-diamine
CID 83060658
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
3-(3-amino-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258667
4-[(8-aminoquinolin-4-yl)amino]pyrrolidin-2-one
CID 106182802
4-N-(3-ethylcyclohexyl)quinoline-4,8-diamine
CID 83060747
3-amino-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-4-carbonitrile
CID 106252122
4-N-(oxan-3-yl)quinoline-4,8-diamine
CID 83060374
3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258511
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257583
1-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]quinolin-2-one
CID 106258245

Frequently Asked Questions

What is the IUPAC name of 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106251837) is 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2ccnc3c(N)cccc23)C1=O.
What is the InChIKey of 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is CAFJGKHBDAEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-8-6-12(14(18)19)17-11-5-7-16-13-9(11)3-2-4-10(13)15/h2-5,7,12H,6,8,15H2,1H3,(H,16,17).
What are the key properties of 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-aminoquinolin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106251837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).