2-(4-Quinolin-2-ylpiperazin-1-yl)phenol

C19H19N3O — CID 4260558

IUPAC2-(4-quinolin-2-ylpiperazin-1-yl)phenol
SMILESC1CN(CCN1C2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4O
InChIInChI=1S/C19H19N3O/c23-18-8-4-3-7-17(18)21-11-13-22(14-12-21)19-10-9-15-5-1-2-6-16(15)20-19/h1-10,23H,11-14H2
InChIKeyLAZZQOIUSCDOFR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.90
Rot. Bonds2

About 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol

2-(4-Quinolin-2-ylpiperazin-1-yl)phenol (PubChem CID 4260558) has the molecular formula C19H19N3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(4-quinolin-2-ylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-(4-Quinolin-2-ylpiperazin-1-yl)phenol
PubChem CID4260558
Molecular FormulaC19H19N3O
Molecular Weight305.40 g/mol
Exact Mass305.15
IUPAC Name2-(4-quinolin-2-ylpiperazin-1-yl)phenol
SMILESC1CN(CCN1C2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4O
InChIInChI=1S/C19H19N3O/c23-18-8-4-3-7-17(18)21-11-13-22(14-12-21)19-10-9-15-5-1-2-6-16(15)20-19/h1-10,23H,11-14H2
InChIKeyLAZZQOIUSCDOFR-UHFFFAOYSA-N
XLogP3.90
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity383

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol?
The IUPAC name of 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol (CID 4260558) is 2-(4-quinolin-2-ylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol?
The canonical SMILES for 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol is C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C4=CC=CC=C4O.
What is the InChIKey of 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol?
The InChIKey is LAZZQOIUSCDOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-18-8-4-3-7-17(18)21-11-13-22(14-12-21)19-10-9-15-5-1-2-6-16(15)20-19/h1-10,23H,11-14H2.
What are the key properties of 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol?
2-(4-Quinolin-2-ylpiperazin-1-yl)phenol has a molecular weight of 305.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Quinolin-2-ylpiperazin-1-yl)phenol is sourced from PubChem (CID 4260558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).