2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine

C21H26N4 — CID 801503

IUPAC2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(c2ccnc3cc4ccccc4cc23)CC1
InChIInChI=1S/C21H26N4/c1-23(2)9-10-24-11-13-25(14-12-24)21-7-8-22-20-16-18-6-4-3-5-17(18)15-19(20)21/h3-8,15-16H,9-14H2,1-2H3
InChIKeyVYSOYXTYHXYAPM-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine

2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine (PubChem CID 801503) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine
PubChem CID801503
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(c2ccnc3cc4ccccc4cc23)CC1
InChIInChI=1S/C21H26N4/c1-23(2)9-10-24-11-13-25(14-12-24)21-7-8-22-20-16-18-6-4-3-5-17(18)15-19(20)21/h3-8,15-16H,9-14H2,1-2H3
InChIKeyVYSOYXTYHXYAPM-UHFFFAOYSA-N
XLogP3.07
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine (CID 801503) is 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CCN(c2ccnc3cc4ccccc4cc23)CC1.
What is the InChIKey of 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine?
The InChIKey is VYSOYXTYHXYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-23(2)9-10-24-11-13-25(14-12-24)21-7-8-22-20-16-18-6-4-3-5-17(18)15-19(20)21/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine?
2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine has a molecular weight of 334.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzo[g]quinolin-4-ylpiperazin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 801503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).