3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline

C22H24FN3O3 — CID 67519530

IUPAC3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
SMILESCOc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C22H24FN3O3/c1-27-21-11-16-18(12-22(21)28-13-14-4-7-25-8-5-14)26-9-6-19(16)29-20-3-2-15(24)10-17(20)23/h2-3,6,9-12,14,25H,4-5,7-8,13,24H2,1H3
InChIKeyGBPOZQLHTOFZGT-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.14
Rot. Bonds6

About 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline

3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline (PubChem CID 67519530) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
PubChem CID67519530
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
SMILESCOc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C22H24FN3O3/c1-27-21-11-16-18(12-22(21)28-13-14-4-7-25-8-5-14)26-9-6-19(16)29-20-3-2-15(24)10-17(20)23/h2-3,6,9-12,14,25H,4-5,7-8,13,24H2,1H3
InChIKeyGBPOZQLHTOFZGT-UHFFFAOYSA-N
XLogP4.14
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
CID 89303527
N'-(4-chloro-3-fluorophenyl)-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350269
N-ethyl-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-methyloxamide
CID 67458270
N'-[(4-chlorophenyl)methyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 68808317
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxamide
CID 154196655
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-hexyloxamide
CID 143025998
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-(2-phenylethyl)oxamide
CID 154065544
N'-[(3,5-dichlorophenyl)methyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 154213361
6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline
CID 157040753
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612189
N'-[2-(2-bromo-6-methoxyphenyl)ethyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 68806347
N-[2-(3,4-dimethylphenyl)ethyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 58830562

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline (CID 67519530) is 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline is COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCC1CCNCC1.
What is the InChIKey of 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline?
The InChIKey is GBPOZQLHTOFZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-27-21-11-16-18(12-22(21)28-13-14-4-7-25-8-5-14)26-9-6-19(16)29-20-3-2-15(24)10-17(20)23/h2-3,6,9-12,14,25H,4-5,7-8,13,24H2,1H3.
What are the key properties of 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline?
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline has a molecular weight of 397.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline is sourced from PubChem (CID 67519530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).