5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol

C31H25N3O2 — CID 25268547

IUPAC5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(Cc2cccc3ccccc23)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C31H25N3O2/c35-28-14-12-23(26-10-4-16-32-30(26)28)19-34(18-22-8-3-7-21-6-1-2-9-25(21)22)20-24-13-15-29(36)31-27(24)11-5-17-33-31/h1-17,35-36H,18-20H2
InChIKeyRFRRIUDTXKZIBX-UHFFFAOYSA-N
MW471.56 g/mol
LogP6.55
Rot. Bonds6

About 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol

5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol (PubChem CID 25268547) has the molecular formula C31H25N3O2 and a molecular weight of 471.56 g/mol. Its IUPAC name is 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
PubChem CID25268547
Molecular FormulaC31H25N3O2
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC Name5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(Cc2cccc3ccccc23)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C31H25N3O2/c35-28-14-12-23(26-10-4-16-32-30(26)28)19-34(18-22-8-3-7-21-6-1-2-9-25(21)22)20-24-13-15-29(36)31-27(24)11-5-17-33-31/h1-17,35-36H,18-20H2
InChIKeyRFRRIUDTXKZIBX-UHFFFAOYSA-N
XLogP6.55
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)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

Related Compounds

5-[[(8-hydroxyquinolin-5-yl)methyl-[(3-iodophenyl)methyl]amino]methyl]quinolin-8-ol
CID 45112559
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
5-naphthalen-1-ylquinolin-8-ol;zinc
CID 20606771
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
6-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 35209438
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
5-(1,2,4-triazol-1-ylmethyl)quinolin-8-ol
CID 155551807
5-(piperidin-4-ylmethyl)quinolin-8-ol
CID 117358047
5-undecylquinolin-8-ol
CID 10780517
zinc quinolin-8-ol
CID 22057723
CID 87330016
CID 87330016

Frequently Asked Questions

What is the IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol (CID 25268547) is 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol is Oc1ccc(CN(Cc2cccc3ccccc23)Cc2ccc(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol?
The InChIKey is RFRRIUDTXKZIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O2/c35-28-14-12-23(26-10-4-16-32-30(26)28)19-34(18-22-8-3-7-21-6-1-2-9-25(21)22)20-24-13-15-29(36)31-27(24)11-5-17-33-31/h1-17,35-36H,18-20H2.
What are the key properties of 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol?
5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol has a molecular weight of 471.56 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8-hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 25268547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).