N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline

C21H23FN2O2 — CID 58362401

IUPACN-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline
SMILESFCCOCCOCCNc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H23FN2O2/c22-11-13-25-15-16-26-14-12-23-19-8-5-18(6-9-19)21-10-7-17-3-1-2-4-20(17)24-21/h1-10,23H,11-16H2
InChIKeyKPJVIVJEPZCRMY-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.32
Rot. Bonds10

About N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline

N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline (PubChem CID 58362401) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline.

Molecular Properties

Compound NameN-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline
PubChem CID58362401
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline
SMILESFCCOCCOCCNc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H23FN2O2/c22-11-13-25-15-16-26-14-12-23-19-8-5-18(6-9-19)21-10-7-17-3-1-2-4-20(17)24-21/h1-10,23H,11-16H2
InChIKeyKPJVIVJEPZCRMY-UHFFFAOYSA-N
XLogP4.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.32
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

2-[2-[2-[4-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]phenyl]anilino]ethoxy]ethoxy]ethanol
CID 10433809
4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]piperazin-1-yl]phenyl]-6-methoxyquinoline;N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline;N-(2-fluoroethyl)-4-quinolin-2-ylaniline;2-[4-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-6-methoxyquinoline;4-(4-fluoroquinolin-2-yl)-N-methylaniline
CID 162087431
4-[6-[2-[2-[2-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-yl](18F)aniline
CID 73442994
iridium;tris(2-phenylquinoline)
CID 122129463
2-[4-(difluoromethyl)phenyl]quinoline
CID 140737123
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
CID 53340869
2-(4-propylphenyl)quinoline
CID 69251676
N-(2-but-3-enoxyethyl)quinolin-2-amine
CID 103853670
dichloroplatinum;2-phenylquinoline
CID 175341425
(2-fluoro-4-quinolin-2-ylphenyl)methanol
CID 70813231

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline?
The IUPAC name of N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline (CID 58362401) is N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline.
What is the SMILES notation for N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline?
The canonical SMILES for N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline is FCCOCCOCCNc1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline?
The InChIKey is KPJVIVJEPZCRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-11-13-25-15-16-26-14-12-23-19-8-5-18(6-9-19)21-10-7-17-3-1-2-4-20(17)24-21/h1-10,23H,11-16H2.
What are the key properties of N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline?
N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline has a molecular weight of 354.43 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]-4-quinolin-2-ylaniline is sourced from PubChem (CID 58362401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).