Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

C₂₂H₂₆N₄O — CID 155525180

About Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone

Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 155525180) has the molecular formula C₂₂H₂₆N₄O and a molecular weight of 362.48 g/mol. Its IUPAC name is benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
• PubChem CID: 155525180
• Molecular Formula: C₂₂H₂₆N₄O
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.21
• IUPAC Name: benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
• SMILES: CN(C)CCN1CCN(C(=O)c2cnc3c(ccc4ccccc43)c2)CC1
• InChI: InChI=1S/C22H26N4O/c1-24(2)9-10-25-11-13-26(14-12-25)22(27)19-15-18-8-7-17-5-3-4-6-20(17)21(18)23-16-19/h3-8,15-16H,9-14H2,1-2H3
• InChIKey: MZBVLNZPEIOQHU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?

The IUPAC name of Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone (CID 155525180) is benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone.

What is the SMILES notation for Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?

The canonical SMILES for Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is CN(C)CCN1CCN(C(=O)c2cnc3c(ccc4ccccc43)c2)CC1.

What is the InChIKey of Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?

The InChIKey is MZBVLNZPEIOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-24(2)9-10-25-11-13-26(14-12-25)22(27)19-15-18-8-7-17-5-3-4-6-20(17)21(18)23-16-19/h3-8,15-16H,9-14H2,1-2H3.

What are the key properties of Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone?

Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Benzo[h]quinolin-3-yl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155525180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155525180 — identifiers, structure, computed properties (public domain)

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