N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine

C23H20FN3O — CID 10179725

IUPACN-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
SMILESFc1cccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c1
InChIInChI=1S/C23H20FN3O/c24-21-7-1-5-19(13-21)20-12-17(15-26-16-20)14-25-10-11-28-22-8-2-4-18-6-3-9-27-23(18)22/h1-9,12-13,15-16,25H,10-11,14H2
InChIKeyFQDFGNZWMRQRJO-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.60
Rot. Bonds7

About N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine

N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine (PubChem CID 10179725) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
PubChem CID10179725
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine
SMILESFc1cccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c1
InChIInChI=1S/C23H20FN3O/c24-21-7-1-5-19(13-21)20-12-17(15-26-16-20)14-25-10-11-28-22-8-2-4-18-6-3-9-27-23(18)22/h1-9,12-13,15-16,25H,10-11,14H2
InChIKeyFQDFGNZWMRQRJO-UHFFFAOYSA-N
XLogP4.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.60
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-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
The IUPAC name of N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine (CID 10179725) is N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine is Fc1cccc(-c2cncc(CNCCOc3cccc4cccnc34)c2)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
The InChIKey is FQDFGNZWMRQRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-21-7-1-5-19(13-21)20-12-17(15-26-16-20)14-25-10-11-28-22-8-2-4-18-6-3-9-27-23(18)22/h1-9,12-13,15-16,25H,10-11,14H2.
What are the key properties of N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine?
N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine has a molecular weight of 373.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-3-pyridinyl]methyl]-2-quinolin-8-yloxyethanamine is sourced from PubChem (CID 10179725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).