5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol

C27H24N4O2 — CID 45112672

IUPAC5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(CCc2ccccn2)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C27H24N4O2/c32-24-10-8-19(22-6-3-14-29-26(22)24)17-31(16-12-21-5-1-2-13-28-21)18-20-9-11-25(33)27-23(20)7-4-15-30-27/h1-11,13-15,32-33H,12,16-18H2
InChIKeyXMDWBORUENRXSY-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.83
Rot. Bonds7

About 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol

5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol (PubChem CID 45112672) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol
PubChem CID45112672
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(CCc2ccccn2)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C27H24N4O2/c32-24-10-8-19(22-6-3-14-29-26(22)24)17-31(16-12-21-5-1-2-13-28-21)18-20-9-11-25(33)27-23(20)7-4-15-30-27/h1-11,13-15,32-33H,12,16-18H2
InChIKeyXMDWBORUENRXSY-UHFFFAOYSA-N
XLogP4.83
TPSA82.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol (CID 45112672) is 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol is Oc1ccc(CN(CCc2ccccn2)Cc2ccc(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol?
The InChIKey is XMDWBORUENRXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-24-10-8-19(22-6-3-14-29-26(22)24)17-31(16-12-21-5-1-2-13-28-21)18-20-9-11-25(33)27-23(20)7-4-15-30-27/h1-11,13-15,32-33H,12,16-18H2.
What are the key properties of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol?
5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol has a molecular weight of 436.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyridin-2-ylethyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 45112672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).