4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline

C19H17F2N3O2 — CID 168942954

IUPAC4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline
SMILESCNc1cc(F)c(Oc2ccnc3cc(OC4CNC4)ccc23)c(F)c1
InChIInChI=1S/C19H17F2N3O2/c1-22-11-6-15(20)19(16(21)7-11)26-18-4-5-24-17-8-12(2-3-14(17)18)25-13-9-23-10-13/h2-8,13,22-23H,9-10H2,1H3
InChIKeyGPSUBWBDMJVRRB-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.70
Rot. Bonds5

About 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline

4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline (PubChem CID 168942954) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline
PubChem CID168942954
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline
SMILESCNc1cc(F)c(Oc2ccnc3cc(OC4CNC4)ccc23)c(F)c1
InChIInChI=1S/C19H17F2N3O2/c1-22-11-6-15(20)19(16(21)7-11)26-18-4-5-24-17-8-12(2-3-14(17)18)25-13-9-23-10-13/h2-8,13,22-23H,9-10H2,1H3
InChIKeyGPSUBWBDMJVRRB-UHFFFAOYSA-N
XLogP3.70
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943021
(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
CID 174116867
1-[4-[2,6-difluoro-4-(methylamino)phenoxy]quinolin-7-yl]oxy-2-methylpropan-2-ol;4-methoxypyridine-3-carbaldehyde
CID 168942957
2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943032
4-cyclopropyloxy-N-[3,5-difluoro-4-[7-[(2S)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]pyridine-3-carboxamide
CID 168842830
4-cyclobutyloxypyridine-3-carbaldehyde;3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943048
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
6-(azetidin-3-yloxy)quinoline;hydrochloride
CID 86262635
N-[4-[7-[(1-aminocyclopropyl)methoxy]quinolin-4-yl]oxy-3,5-difluorophenyl]-7-cyclopropyloxycyclohepta-1,4,6-triene-1-carboxamide
CID 168943001
N-methyl-4-[7-(1H-pyrazol-5-yl)quinolin-4-yl]oxyaniline
CID 155382063
7-piperidin-4-yloxyquinolin-4-amine
CID 175411654
3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde
CID 176567546

Frequently Asked Questions

What is the IUPAC name of 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline?
The IUPAC name of 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline (CID 168942954) is 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline.
What is the SMILES notation for 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline?
The canonical SMILES for 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline is CNc1cc(F)c(Oc2ccnc3cc(OC4CNC4)ccc23)c(F)c1.
What is the InChIKey of 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline?
The InChIKey is GPSUBWBDMJVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-22-11-6-15(20)19(16(21)7-11)26-18-4-5-24-17-8-12(2-3-14(17)18)25-13-9-23-10-13/h2-8,13,22-23H,9-10H2,1H3.
What are the key properties of 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline?
4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline has a molecular weight of 357.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline is sourced from PubChem (CID 168942954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).