2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline

C19H19F2N3O3 — CID 168943014

IUPAC2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
SMILESCNCCOc1cc2nccc(Oc3ccc(N)c(F)c3F)c2cc1OC
InChIInChI=1S/C19H19F2N3O3/c1-23-7-8-26-17-10-13-11(9-16(17)25-2)14(5-6-24-13)27-15-4-3-12(22)18(20)19(15)21/h3-6,9-10,23H,7-8,22H2,1-2H3
InChIKeyGFWJKVFHALVBSG-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.49
Rot. Bonds7

About 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline

2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline (PubChem CID 168943014) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
PubChem CID168943014
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline
SMILESCNCCOc1cc2nccc(Oc3ccc(N)c(F)c3F)c2cc1OC
InChIInChI=1S/C19H19F2N3O3/c1-23-7-8-26-17-10-13-11(9-16(17)25-2)14(5-6-24-13)27-15-4-3-12(22)18(20)19(15)21/h3-6,9-10,23H,7-8,22H2,1-2H3
InChIKeyGFWJKVFHALVBSG-UHFFFAOYSA-N
XLogP3.49
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-4-[6-methoxy-7-[3-(methylamino)propoxy]quinolin-4-yl]oxy-N-methylaniline
CID 168943078
6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
CID 168842833
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
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-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
N-[3-[4-(2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]cyclopropanamine
CID 141291316
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 168842767
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
The IUPAC name of 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline (CID 168943014) is 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline.
What is the SMILES notation for 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
The canonical SMILES for 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline is CNCCOc1cc2nccc(Oc3ccc(N)c(F)c3F)c2cc1OC.
What is the InChIKey of 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
The InChIKey is GFWJKVFHALVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-23-7-8-26-17-10-13-11(9-16(17)25-2)14(5-6-24-13)27-15-4-3-12(22)18(20)19(15)21/h3-6,9-10,23H,7-8,22H2,1-2H3.
What are the key properties of 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline?
2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline has a molecular weight of 375.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyaniline is sourced from PubChem (CID 168943014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).