N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine

C24H22FN3O — CID 10113083

IUPACN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
SMILESCc1ccc2cccc(OCCNCc3cncc(-c4ccc(F)cc4)c3)c2n1
InChIInChI=1S/C24H22FN3O/c1-17-5-6-20-3-2-4-23(24(20)28-17)29-12-11-26-14-18-13-21(16-27-15-18)19-7-9-22(25)10-8-19/h2-10,13,15-16,26H,11-12,14H2,1H3
InChIKeyDSNRDXUWUDJOMP-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.91
Rot. Bonds7

About N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine

N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine (PubChem CID 10113083) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
PubChem CID10113083
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
SMILESCc1ccc2cccc(OCCNCc3cncc(-c4ccc(F)cc4)c3)c2n1
InChIInChI=1S/C24H22FN3O/c1-17-5-6-20-3-2-4-23(24(20)28-17)29-12-11-26-14-18-13-21(16-27-15-18)19-7-9-22(25)10-8-19/h2-10,13,15-16,26H,11-12,14H2,1H3
InChIKeyDSNRDXUWUDJOMP-UHFFFAOYSA-N
XLogP4.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.91
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-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine (CID 10113083) is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine is Cc1ccc2cccc(OCCNCc3cncc(-c4ccc(F)cc4)c3)c2n1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine?
The InChIKey is DSNRDXUWUDJOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-17-5-6-20-3-2-4-23(24(20)28-17)29-12-11-26-14-18-13-21(16-27-15-18)19-7-9-22(25)10-8-19/h2-10,13,15-16,26H,11-12,14H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine?
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine has a molecular weight of 387.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine is sourced from PubChem (CID 10113083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).