2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid

C17H21N3O2 — CID 82166224

IUPAC2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
SMILESCc1cc(N2CCN(CC(=O)O)CC2)nc2c(C)cccc12
InChIInChI=1S/C17H21N3O2/c1-12-4-3-5-14-13(2)10-15(18-17(12)14)20-8-6-19(7-9-20)11-16(21)22/h3-5,10H,6-9,11H2,1-2H3,(H,21,22)
InChIKeyZCZNLJTUGGHWIV-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds3

About 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid

2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid (PubChem CID 82166224) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
PubChem CID82166224
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
SMILESCc1cc(N2CCN(CC(=O)O)CC2)nc2c(C)cccc12
InChIInChI=1S/C17H21N3O2/c1-12-4-3-5-14-13(2)10-15(18-17(12)14)20-8-6-19(7-9-20)11-16(21)22/h3-5,10H,6-9,11H2,1-2H3,(H,21,22)
InChIKeyZCZNLJTUGGHWIV-UHFFFAOYSA-N
XLogP2.06
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891914
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855
methyl 4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-oxobutanoate
CID 108731300
1-(3,4-dimethylphenyl)-4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108731269
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731208
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 108731152
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108731191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid (CID 82166224) is 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid is Cc1cc(N2CCN(CC(=O)O)CC2)nc2c(C)cccc12.
What is the InChIKey of 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid?
The InChIKey is ZCZNLJTUGGHWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-4-3-5-14-13(2)10-15(18-17(12)14)20-8-6-19(7-9-20)11-16(21)22/h3-5,10H,6-9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid?
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 82166224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).