4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline

C22H22FN3O4 — CID 89303527

IUPAC4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
SMILESCOc1cc2c(Oc3ccc(N=O)cc3F)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C22H22FN3O4/c1-28-21-11-16-18(12-22(21)29-13-14-4-7-24-8-5-14)25-9-6-19(16)30-20-3-2-15(26-27)10-17(20)23/h2-3,6,9-12,14,24H,4-5,7-8,13H2,1H3
InChIKeyNAFBUUFLDLLVSF-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.95
Rot. Bonds7

About 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline

4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline (PubChem CID 89303527) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
PubChem CID89303527
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
SMILESCOc1cc2c(Oc3ccc(N=O)cc3F)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C22H22FN3O4/c1-28-21-11-16-18(12-22(21)29-13-14-4-7-24-8-5-14)25-9-6-19(16)30-20-3-2-15(26-27)10-17(20)23/h2-3,6,9-12,14,24H,4-5,7-8,13H2,1H3
InChIKeyNAFBUUFLDLLVSF-UHFFFAOYSA-N
XLogP4.95
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
N'-[(3,5-dichlorophenyl)methyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 154213361
N-ethyl-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-methyloxamide
CID 67458270
N'-(4-chloro-3-fluorophenyl)-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 135350269
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-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-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
CID 118612189
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-[[2-(trifluoromethyl)phenyl]methyl]oxamide
CID 68806238
N-[2-(3,4-dimethylphenyl)ethyl]-N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]oxamide
CID 58830562
N'-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-N'-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]oxamide
CID 68806179

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline?
The IUPAC name of 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline (CID 89303527) is 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline.
What is the SMILES notation for 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline?
The canonical SMILES for 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline is COc1cc2c(Oc3ccc(N=O)cc3F)ccnc2cc1OCC1CCNCC1.
What is the InChIKey of 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline?
The InChIKey is NAFBUUFLDLLVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-28-21-11-16-18(12-22(21)29-13-14-4-7-24-8-5-14)25-9-6-19(16)30-20-3-2-15(26-27)10-17(20)23/h2-3,6,9-12,14,24H,4-5,7-8,13H2,1H3.
What are the key properties of 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline?
4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline has a molecular weight of 411.43 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline is sourced from PubChem (CID 89303527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).