2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide

C17H20F2N4O — CID 51103937

IUPAC2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1
InChIInChI=1S/C17H20F2N4O/c1-21(2)15(24)11-22-7-9-23(10-8-22)14-5-6-20-17-13(19)4-3-12(18)16(14)17/h3-6H,7-11H2,1-2H3
InChIKeyBHZIMLFQXOWSDY-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 51103937) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID51103937
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1
InChIInChI=1S/C17H20F2N4O/c1-21(2)15(24)11-22-7-9-23(10-8-22)14-5-6-20-17-13(19)4-3-12(18)16(14)17/h3-6H,7-11H2,1-2H3
InChIKeyBHZIMLFQXOWSDY-UHFFFAOYSA-N
XLogP1.72
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide (CID 51103937) is 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(c2ccnc3c(F)ccc(F)c23)CC1.
What is the InChIKey of 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is BHZIMLFQXOWSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-21(2)15(24)11-22-7-9-23(10-8-22)14-5-6-20-17-13(19)4-3-12(18)16(14)17/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 334.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,8-difluoroquinolin-4-yl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 51103937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).