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'}

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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).