2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide

C16H21N5O — CID 82546933

IUPAC2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2ccc3cc(N)ccc3n2)CC1
InChIInChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)19-16(22)11-14-4-2-12-10-13(17)3-5-15(12)18-14/h2-5,10H,6-9,11,17H2,1H3,(H,19,22)
InChIKeyICDZHIOQDLDVSH-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.64
Rot. Bonds3

About 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide

2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 82546933) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID82546933
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2ccc3cc(N)ccc3n2)CC1
InChIInChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)19-16(22)11-14-4-2-12-10-13(17)3-5-15(12)18-14/h2-5,10H,6-9,11,17H2,1H3,(H,19,22)
InChIKeyICDZHIOQDLDVSH-UHFFFAOYSA-N
XLogP0.64
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 82547456
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110451190
2-(6-aminoquinolin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 82547221
2-(6-aminoquinolin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 82547311
2-(6-aminoquinolin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 82547092
2-(6-aminoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110451369
2-(6-aminoquinolin-2-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 110451337
(6-aminoquinolin-2-yl)methanol
CID 22763701
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide (CID 82546933) is 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)Cc2ccc3cc(N)ccc3n2)CC1.
What is the InChIKey of 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is ICDZHIOQDLDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)19-16(22)11-14-4-2-12-10-13(17)3-5-15(12)18-14/h2-5,10H,6-9,11,17H2,1H3,(H,19,22).
What are the key properties of 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide?
2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 299.38 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 82546933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).