4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline

C19H19FN2O3 — CID 67457884

IUPAC4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
SMILESCCNc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C19H19FN2O3/c1-4-21-12-5-6-17(14(20)9-12)25-16-7-8-22-15-11-19(24-3)18(23-2)10-13(15)16/h5-11,21H,4H2,1-3H3
InChIKeyJLVVTPPUBQVIEP-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.62
Rot. Bonds6

About 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline

4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline (PubChem CID 67457884) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
PubChem CID67457884
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
SMILESCCNc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C19H19FN2O3/c1-4-21-12-5-6-17(14(20)9-12)25-16-7-8-22-15-11-19(24-3)18(23-2)10-13(15)16/h5-11,21H,4H2,1-3H3
InChIKeyJLVVTPPUBQVIEP-UHFFFAOYSA-N
XLogP4.62
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-ethylbenzamide
CID 59864354
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-N-(4-fluoro-3-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
CID 90435587
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268
N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 156569958
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]urea
CID 135271540
2-(2,6-difluorophenyl)-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]acetamide
CID 59791956
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethyl-2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 90452687
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-5-methylhexanamide
CID 22935511
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[(4-methylphenyl)methylsulfonyl]urea
CID 155539894

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline?
The IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline (CID 67457884) is 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline.
What is the SMILES notation for 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline?
The canonical SMILES for 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline is CCNc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1.
What is the InChIKey of 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline?
The InChIKey is JLVVTPPUBQVIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-4-21-12-5-6-17(14(20)9-12)25-16-7-8-22-15-11-19(24-3)18(23-2)10-13(15)16/h5-11,21H,4H2,1-3H3.
What are the key properties of 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline?
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline has a molecular weight of 342.37 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 67457884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).