2-(4-methylpiperazin-1-yl)-4-phenylquinoline

C20H21N3 — CID 721629

IUPAC2-(4-methylpiperazin-1-yl)-4-phenylquinoline
SMILESCN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C20H21N3/c1-22-11-13-23(14-12-22)20-15-18(16-7-3-2-4-8-16)17-9-5-6-10-19(17)21-20/h2-10,15H,11-14H2,1H3
InChIKeyKTBNHBIVVRECOT-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-4-phenylquinoline

2-(4-methylpiperazin-1-yl)-4-phenylquinoline (PubChem CID 721629) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-phenylquinoline
PubChem CID721629
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-(4-methylpiperazin-1-yl)-4-phenylquinoline
SMILESCN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C20H21N3/c1-22-11-13-23(14-12-22)20-15-18(16-7-3-2-4-8-16)17-9-5-6-10-19(17)21-20/h2-10,15H,11-14H2,1H3
InChIKeyKTBNHBIVVRECOT-UHFFFAOYSA-N
XLogP3.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-phenylquinoline (CID 721629) is 2-(4-methylpiperazin-1-yl)-4-phenylquinoline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-phenylquinoline is CN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
The InChIKey is KTBNHBIVVRECOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-22-11-13-23(14-12-22)20-15-18(16-7-3-2-4-8-16)17-9-5-6-10-19(17)21-20/h2-10,15H,11-14H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-phenylquinoline?
2-(4-methylpiperazin-1-yl)-4-phenylquinoline has a molecular weight of 303.41 g/mol, XLogP of 3.65, 2 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)-4-phenylquinoline is sourced from PubChem (CID 721629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).