2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol

C27H23N3O2 — CID 67454262

IUPAC2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CN(Cc3ccccc3)Cc3ccc4cccc(O)c4n3)nc12
InChIInChI=1S/C27H23N3O2/c31-24-10-4-8-20-12-14-22(28-26(20)24)17-30(16-19-6-2-1-3-7-19)18-23-15-13-21-9-5-11-25(32)27(21)29-23/h1-15,31-32H,16-18H2
InChIKeyFSSRGVIUEIVCRI-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.40
Rot. Bonds6

About 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol

2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol (PubChem CID 67454262) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
PubChem CID67454262
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CN(Cc3ccccc3)Cc3ccc4cccc(O)c4n3)nc12
InChIInChI=1S/C27H23N3O2/c31-24-10-4-8-20-12-14-22(28-26(20)24)17-30(16-19-6-2-1-3-7-19)18-23-15-13-21-9-5-11-25(32)27(21)29-23/h1-15,31-32H,16-18H2
InChIKeyFSSRGVIUEIVCRI-UHFFFAOYSA-N
XLogP5.40
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]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 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol?
The IUPAC name of 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol (CID 67454262) is 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol is Oc1cccc2ccc(CN(Cc3ccccc3)Cc3ccc4cccc(O)c4n3)nc12.
What is the InChIKey of 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol?
The InChIKey is FSSRGVIUEIVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-24-10-4-8-20-12-14-22(28-26(20)24)17-30(16-19-6-2-1-3-7-19)18-23-15-13-21-9-5-11-25(32)27(21)29-23/h1-15,31-32H,16-18H2.
What are the key properties of 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol?
2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol has a molecular weight of 421.50 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol is sourced from PubChem (CID 67454262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).