4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol

C24H22N4O — CID 73345796

IUPAC4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H22N4O/c29-19-10-8-18(9-11-19)27-13-15-28(16-14-27)24-17-23(22-7-3-4-12-25-22)26-21-6-2-1-5-20(21)24/h1-12,17,29H,13-16H2
InChIKeyOQYRBFHDQXGXBC-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.33
Rot. Bonds3

About 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol

4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol (PubChem CID 73345796) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
PubChem CID73345796
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H22N4O/c29-19-10-8-18(9-11-19)27-13-15-28(16-14-27)24-17-23(22-7-3-4-12-25-22)26-21-6-2-1-5-20(21)24/h1-12,17,29H,13-16H2
InChIKeyOQYRBFHDQXGXBC-UHFFFAOYSA-N
XLogP4.33
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol (CID 73345796) is 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol?
The InChIKey is OQYRBFHDQXGXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-19-10-8-18(9-11-19)27-13-15-28(16-14-27)24-17-23(22-7-3-4-12-25-22)26-21-6-2-1-5-20(21)24/h1-12,17,29H,13-16H2.
What are the key properties of 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol?
4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol has a molecular weight of 382.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 73345796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).