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

C23H19F2N3O — CID 10159594

IUPACN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c(F)c1
InChIInChI=1S/C23H19F2N3O/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
InChIKeyHERFROFLNAHFFH-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.74
Rot. Bonds7

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

N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine (PubChem CID 10159594) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
PubChem CID10159594
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c(F)c1
InChIInChI=1S/C23H19F2N3O/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
InChIKeyHERFROFLNAHFFH-UHFFFAOYSA-N
XLogP4.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine (CID 10159594) is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine is Fc1ccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c(F)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
The InChIKey is HERFROFLNAHFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/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.
What are the key properties of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine has a molecular weight of 391.42 g/mol, XLogP of 4.74, 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 is sourced from PubChem (CID 10159594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).