2-(4-methylpiperazin-1-yl)benzo[h]quinoline

C18H19N3 — CID 10612585

IUPAC2-(4-methylpiperazin-1-yl)benzo[h]quinoline
SMILESCN1CCN(c2ccc3ccc4ccccc4c3n2)CC1
InChIInChI=1S/C18H19N3/c1-20-10-12-21(13-11-20)17-9-8-15-7-6-14-4-2-3-5-16(14)18(15)19-17/h2-9H,10-13H2,1H3
InChIKeyXCCYSXCGVQKPIY-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.14
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)benzo[h]quinoline

2-(4-methylpiperazin-1-yl)benzo[h]quinoline (PubChem CID 10612585) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)benzo[h]quinoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)benzo[h]quinoline
PubChem CID10612585
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-(4-methylpiperazin-1-yl)benzo[h]quinoline
SMILESCN1CCN(c2ccc3ccc4ccccc4c3n2)CC1
InChIInChI=1S/C18H19N3/c1-20-10-12-21(13-11-20)17-9-8-15-7-6-14-4-2-3-5-16(14)18(15)19-17/h2-9H,10-13H2,1H3
InChIKeyXCCYSXCGVQKPIY-UHFFFAOYSA-N
XLogP3.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)benzo[h]quinoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)benzo[h]quinoline (CID 10612585) is 2-(4-methylpiperazin-1-yl)benzo[h]quinoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)benzo[h]quinoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)benzo[h]quinoline is CN1CCN(c2ccc3ccc4ccccc4c3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)benzo[h]quinoline?
The InChIKey is XCCYSXCGVQKPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-20-10-12-21(13-11-20)17-9-8-15-7-6-14-4-2-3-5-16(14)18(15)19-17/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)benzo[h]quinoline?
2-(4-methylpiperazin-1-yl)benzo[h]quinoline has a molecular weight of 277.37 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)benzo[h]quinoline is sourced from PubChem (CID 10612585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).