2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline

C19H18F3N3O2 — CID 168943032

IUPAC2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
SMILESCNCCOc1ccc2c(Oc3c(F)cc(NC)c(F)c3F)ccnc2c1
InChIInChI=1S/C19H18F3N3O2/c1-23-7-8-26-11-3-4-12-14(9-11)25-6-5-16(12)27-19-13(20)10-15(24-2)17(21)18(19)22/h3-6,9-10,23-24H,7-8H2,1-2H3
InChIKeyVBIHRBHXSPRSPI-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.08
Rot. Bonds7

About 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline

2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline (PubChem CID 168943032) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
PubChem CID168943032
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
SMILESCNCCOc1ccc2c(Oc3c(F)cc(NC)c(F)c3F)ccnc2c1
InChIInChI=1S/C19H18F3N3O2/c1-23-7-8-26-11-3-4-12-14(9-11)25-6-5-16(12)27-19-13(20)10-15(24-2)17(21)18(19)22/h3-6,9-10,23-24H,7-8H2,1-2H3
InChIKeyVBIHRBHXSPRSPI-UHFFFAOYSA-N
XLogP4.08
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-cyclopropyloxy-2-pyridinyl)-[3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyanilino]methanol
CID 174116867
2-[2-cyclopropyloxy-3,5-difluoro-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168943007
2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943078
4-[7-[(2R)-2-aminopropoxy]quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943021
2,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-N-methylaniline;2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 168943045
4-[7-(azetidin-3-yloxy)quinolin-4-yl]oxy-3,5-difluoro-N-methylaniline
CID 168942954
4-ethoxy-N-[4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxy-3,5-bis(phosphanyl)phenyl]pyridine-3-carboxamide
CID 170005576
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
CID 168943014
1-[4-[2,6-difluoro-4-(methylamino)phenoxy]quinolin-7-yl]oxy-2-methylpropan-2-ol;4-methoxypyridine-3-carbaldehyde
CID 168942957
4,7-dimethoxyquinoline
CID 20743716
N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
CID 20553444
7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinoline
CID 146508389

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
The IUPAC name of 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline (CID 168943032) is 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline.
What is the SMILES notation for 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
The canonical SMILES for 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline is CNCCOc1ccc2c(Oc3c(F)cc(NC)c(F)c3F)ccnc2c1.
What is the InChIKey of 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
The InChIKey is VBIHRBHXSPRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-23-7-8-26-11-3-4-12-14(9-11)25-6-5-16(12)27-19-13(20)10-15(24-2)17(21)18(19)22/h3-6,9-10,23-24H,7-8H2,1-2H3.
What are the key properties of 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline has a molecular weight of 377.37 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-methyl-4-[7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline is sourced from PubChem (CID 168943032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).