[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine

C18H15FN2O4S — CID 166561964

IUPAC[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine
SMILES[H]/N=C/S(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C18H15FN2O4S/c1-23-17-8-12-14(9-18(17)24-2)21-6-5-15(12)25-16-4-3-11(7-13(16)19)26(22)10-20/h3-10,20H,1-2H3/b20-10+
InChIKeyLEUVUPDHBHDRRM-KEBDBYFISA-N
MW374.39 g/mol
LogP3.90
Rot. Bonds6

About [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine

[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine (PubChem CID 166561964) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine
PubChem CID166561964
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine
SMILES[H]/N=C/S(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C18H15FN2O4S/c1-23-17-8-12-14(9-18(17)24-2)21-6-5-15(12)25-16-4-3-11(7-13(16)19)26(22)10-20/h3-10,20H,1-2H3/b20-10+
InChIKeyLEUVUPDHBHDRRM-KEBDBYFISA-N
XLogP3.90
TPSA81.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
4-[2,5-difluoro-4-(sulfinoamino)phenoxy]-6,7-dimethoxyquinoline
CID 155099854
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine?
The IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine (CID 166561964) is [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine.
What is the SMILES notation for [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine?
The canonical SMILES for [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine is [H]/N=C/S(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1.
What is the InChIKey of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine?
The InChIKey is LEUVUPDHBHDRRM-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-23-17-8-12-14(9-18(17)24-2)21-6-5-15(12)25-16-4-3-11(7-13(16)19)26(22)10-20/h3-10,20H,1-2H3/b20-10+.
What are the key properties of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine?
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine has a molecular weight of 374.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine is sourced from PubChem (CID 166561964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).