4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one

C15H18N4O — CID 63596512

IUPAC4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1ccc2ncccc2c1N
InChIInChI=1S/C15H18N4O/c1-15(2)14(20)18-8-9-19(15)12-6-5-11-10(13(12)16)4-3-7-17-11/h3-7H,8-9,16H2,1-2H3,(H,18,20)
InChIKeyINLMFKPEGIWNGA-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.53
Rot. Bonds1

About 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one

4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 63596512) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one
PubChem CID63596512
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1ccc2ncccc2c1N
InChIInChI=1S/C15H18N4O/c1-15(2)14(20)18-8-9-19(15)12-6-5-11-10(13(12)16)4-3-7-17-11/h3-7H,8-9,16H2,1-2H3,(H,18,20)
InChIKeyINLMFKPEGIWNGA-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one (CID 63596512) is 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1ccc2ncccc2c1N.
What is the InChIKey of 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is INLMFKPEGIWNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2)14(20)18-8-9-19(15)12-6-5-11-10(13(12)16)4-3-7-17-11/h3-7H,8-9,16H2,1-2H3,(H,18,20).
What are the key properties of 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one?
4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63596512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).