3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione

C15H16N4O2 — CID 103001402

IUPAC3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ccnc3cc(N)ccc23)C1=O
InChIInChI=1S/C15H16N4O2/c1-19-14(20)5-4-12(15(19)21)18-11-6-7-17-13-8-9(16)2-3-10(11)13/h2-3,6-8,12H,4-5,16H2,1H3,(H,17,18)
InChIKeyWZNOFRLWLFPXOV-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.38
Rot. Bonds2

About 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 103001402) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID103001402
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ccnc3cc(N)ccc23)C1=O
InChIInChI=1S/C15H16N4O2/c1-19-14(20)5-4-12(15(19)21)18-11-6-7-17-13-8-9(16)2-3-10(11)13/h2-3,6-8,12H,4-5,16H2,1H3,(H,17,18)
InChIKeyWZNOFRLWLFPXOV-UHFFFAOYSA-N
XLogP1.38
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione 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

4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
CID 103000945
3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione
CID 79840717
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
4-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)quinoline-4,7-diamine
CID 103001394
4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
CID 103000682
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544747
1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80856468
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
CID 106772364
4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine
CID 103000900

Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 103001402) is 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Nc2ccnc3cc(N)ccc23)C1=O.
What is the InChIKey of 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is WZNOFRLWLFPXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19-14(20)5-4-12(15(19)21)18-11-6-7-17-13-8-9(16)2-3-10(11)13/h2-3,6-8,12H,4-5,16H2,1H3,(H,17,18).
What are the key properties of 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 284.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 103001402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).