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

C24H21F2N3O — CID 10203716

IUPACN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
SMILESCc1ccc2cccc(OCCNCc3cncc(-c4ccc(F)cc4F)c3)c2n1
InChIInChI=1S/C24H21F2N3O/c1-16-5-6-18-3-2-4-23(24(18)29-16)30-10-9-27-13-17-11-19(15-28-14-17)21-8-7-20(25)12-22(21)26/h2-8,11-12,14-15,27H,9-10,13H2,1H3
InChIKeyCCXCIYWXNWQGKB-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.05
Rot. Bonds7

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

N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine (PubChem CID 10203716) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
PubChem CID10203716
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine
SMILESCc1ccc2cccc(OCCNCc3cncc(-c4ccc(F)cc4F)c3)c2n1
InChIInChI=1S/C24H21F2N3O/c1-16-5-6-18-3-2-4-23(24(18)29-16)30-10-9-27-13-17-11-19(15-28-14-17)21-8-7-20(25)12-22(21)26/h2-8,11-12,14-15,27H,9-10,13H2,1H3
InChIKeyCCXCIYWXNWQGKB-UHFFFAOYSA-N
XLogP5.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.05
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-(2-methylquinolin-8-yl)oxyethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine (CID 10203716) is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine is Cc1ccc2cccc(OCCNCc3cncc(-c4ccc(F)cc4F)c3)c2n1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine?
The InChIKey is CCXCIYWXNWQGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O/c1-16-5-6-18-3-2-4-23(24(18)29-16)30-10-9-27-13-17-11-19(15-28-14-17)21-8-7-20(25)12-22(21)26/h2-8,11-12,14-15,27H,9-10,13H2,1H3.
What are the key properties of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine?
N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2-methylquinolin-8-yl)oxyethanamine has a molecular weight of 405.45 g/mol, XLogP of 5.05, 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-(2-methylquinolin-8-yl)oxyethanamine is sourced from PubChem (CID 10203716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).