N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride

C23H20ClF2N3O — CID 10159593

IUPACN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c(F)c1
InChIInChI=1S/C23H19F2N3O.ClH/c24-19-6-7-20(21(25)12-19)18-11-16(14-27-15-18)13-26-9-10-29-22-5-1-3-17-4-2-8-28-23(17)22;/h1-8,11-12,14-15,26H,9-10,13H2;1H
InChIKeyAZSQUJOBFLIBTR-UHFFFAOYSA-N
MW427.88 g/mol
LogP5.17
Rot. Bonds7

About N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride

N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride (PubChem CID 10159593) has the molecular formula C23H20ClF2N3O and a molecular weight of 427.88 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride
PubChem CID10159593
Molecular FormulaC23H20ClF2N3O
Molecular Weight427.88 g/mol
Exact Mass427.13
IUPAC NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c(F)c1
InChIInChI=1S/C23H19F2N3O.ClH/c24-19-6-7-20(21(25)12-19)18-11-16(14-27-15-18)13-26-9-10-29-22-5-1-3-17-4-2-8-28-23(17)22;/h1-8,11-12,14-15,26H,9-10,13H2;1H
InChIKeyAZSQUJOBFLIBTR-UHFFFAOYSA-N
XLogP5.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.88
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride 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 N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride (CID 10159593) is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride is Cl.Fc1ccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c(F)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride?
The InChIKey is AZSQUJOBFLIBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O.ClH/c24-19-6-7-20(21(25)12-19)18-11-16(14-27-15-18)13-26-9-10-29-22-5-1-3-17-4-2-8-28-23(17)22;/h1-8,11-12,14-15,26H,9-10,13H2;1H.
What are the key properties of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride?
N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride has a molecular weight of 427.88 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine;hydrochloride is sourced from PubChem (CID 10159593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).