2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide

C16H19ClN4O — CID 75443207

IUPAC2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)c2ccc(N3CCN(CC(N)=O)CC3)nc12
InChIInChI=1S/C16H19ClN4O/c1-11-2-4-13(17)12-3-5-15(19-16(11)12)21-8-6-20(7-9-21)10-14(18)22/h2-5H,6-10H2,1H3,(H2,18,22)
InChIKeyZVQVYICZVSOSRK-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.80
Rot. Bonds3

About 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide

2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide (PubChem CID 75443207) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide
PubChem CID75443207
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(Cl)c2ccc(N3CCN(CC(N)=O)CC3)nc12
InChIInChI=1S/C16H19ClN4O/c1-11-2-4-13(17)12-3-5-15(19-16(11)12)21-8-6-20(7-9-21)10-14(18)22/h2-5H,6-10H2,1H3,(H2,18,22)
InChIKeyZVQVYICZVSOSRK-UHFFFAOYSA-N
XLogP1.80
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide (CID 75443207) is 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide is Cc1ccc(Cl)c2ccc(N3CCN(CC(N)=O)CC3)nc12.
What is the InChIKey of 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is ZVQVYICZVSOSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-2-4-13(17)12-3-5-15(19-16(11)12)21-8-6-20(7-9-21)10-14(18)22/h2-5H,6-10H2,1H3,(H2,18,22).
What are the key properties of 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide?
2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 318.81 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-8-methylquinolin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75443207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).