2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine

C21H32N4 — CID 71054602

IUPAC2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESC/C=C(\C)C1CC=c2cccc(N3CCN(CCN(C)C)CC3)c2=N1
InChIInChI=1S/C21H32N4/c1-5-17(2)19-10-9-18-7-6-8-20(21(18)22-19)25-15-13-24(14-16-25)12-11-23(3)4/h5-9,19H,10-16H2,1-4H3/b17-5+
InChIKeyVGRODICPTJVROV-YAXRCOADSA-N
MW340.52 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 71054602) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID71054602
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESC/C=C(\C)C1CC=c2cccc(N3CCN(CCN(C)C)CC3)c2=N1
InChIInChI=1S/C21H32N4/c1-5-17(2)19-10-9-18-7-6-8-20(21(18)22-19)25-15-13-24(14-16-25)12-11-23(3)4/h5-9,19H,10-16H2,1-4H3/b17-5+
InChIKeyVGRODICPTJVROV-YAXRCOADSA-N
XLogP1.51
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 71054602) is 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine is C/C=C(\C)C1CC=c2cccc(N3CCN(CCN(C)C)CC3)c2=N1.
What is the InChIKey of 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is VGRODICPTJVROV-YAXRCOADSA-N. The full InChI is InChI=1S/C21H32N4/c1-5-17(2)19-10-9-18-7-6-8-20(21(18)22-19)25-15-13-24(14-16-25)12-11-23(3)4/h5-9,19H,10-16H2,1-4H3/b17-5+.
What are the key properties of 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 340.52 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(E)-but-2-en-2-yl]-2,3-dihydroquinolin-8-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 71054602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).