3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline

C23H26FN3O4 — CID 90283838

IUPAC3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline
SMILESCCC(Oc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OC)C1COCCN1
InChIInChI=1S/C23H26FN3O4/c1-3-19(18-13-29-9-8-27-18)30-23-12-17-15(11-22(23)28-2)20(6-7-26-17)31-21-5-4-14(25)10-16(21)24/h4-7,10-12,18-19,27H,3,8-9,13,25H2,1-2H3
InChIKeyPDXHOVBQBORISB-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.90
Rot. Bonds7

About 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline

3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline (PubChem CID 90283838) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline
PubChem CID90283838
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline
SMILESCCC(Oc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OC)C1COCCN1
InChIInChI=1S/C23H26FN3O4/c1-3-19(18-13-29-9-8-27-18)30-23-12-17-15(11-22(23)28-2)20(6-7-26-17)31-21-5-4-14(25)10-16(21)24/h4-7,10-12,18-19,27H,3,8-9,13,25H2,1-2H3
InChIKeyPDXHOVBQBORISB-UHFFFAOYSA-N
XLogP3.90
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine
CID 155779576
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
4-[2-(aminomethyl)-6,7-dimethoxyquinolin-4-yl]oxy-3-fluoroaniline
CID 66669452
4,6-dimethoxy-7-pentan-3-yloxyquinoline
CID 155219752
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(2-fluoro-4-nitrosophenoxy)-6-methoxy-7-(piperidin-4-ylmethoxy)quinoline
CID 89303527
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268
2-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyanilino]-2-oxoacetic acid
CID 66669350

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline (CID 90283838) is 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline is CCC(Oc1cc2nccc(Oc3ccc(N)cc3F)c2cc1OC)C1COCCN1.
What is the InChIKey of 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline?
The InChIKey is PDXHOVBQBORISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-3-19(18-13-29-9-8-27-18)30-23-12-17-15(11-22(23)28-2)20(6-7-26-17)31-21-5-4-14(25)10-16(21)24/h4-7,10-12,18-19,27H,3,8-9,13,25H2,1-2H3.
What are the key properties of 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline?
3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline has a molecular weight of 427.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline is sourced from PubChem (CID 90283838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).