2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline

C20H21N3 — CID 4263090

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline
SMILESCN1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C20H21N3/c1-22-12-14-23(15-13-22)18-9-6-17(7-10-18)20-11-8-16-4-2-3-5-19(16)21-20/h2-11H,12-15H2,1H3
InChIKeyNFZVJHWAJYJGOY-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.65
Rot. Bonds2

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

2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline (PubChem CID 4263090) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline
PubChem CID4263090
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline
SMILESCN1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1
InChIInChI=1S/C20H21N3/c1-22-12-14-23(15-13-22)18-9-6-17(7-10-18)20-11-8-16-4-2-3-5-19(16)21-20/h2-11H,12-15H2,1H3
InChIKeyNFZVJHWAJYJGOY-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-(4-methylpiperazin-1-yl)phenyl]quinoline?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline (CID 4263090) is 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline is CN1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline?
The InChIKey is NFZVJHWAJYJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-22-12-14-23(15-13-22)18-9-6-17(7-10-18)20-11-8-16-4-2-3-5-19(16)21-20/h2-11H,12-15H2,1H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline?
2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline 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-(4-methylpiperazin-1-yl)phenyl]quinoline is sourced from PubChem (CID 4263090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).