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'}

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Related Compounds

N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride
CID 10158807
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-naphthalen-1-yloxyethanamine
CID 19079499
(Z)-1-[2-[2-[[5-(2-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]phenyl]prop-1-en-2-amine
CID 142103053
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-4-yloxy)ethanamine
CID 10222485
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 86949236
4-[2-[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-inden-2-ol
CID 142659409
2-quinolin-8-yloxyethylhydrazine
CID 82126133
3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine
CID 165454838
ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate
CID 10207532
N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 113469694
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771

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).