N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine

C26H20FN3O3S — CID 11155711

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc(Nc4nc(-c5ccccc5)cs4)cc3F)c2cc1OC
InChIInChI=1S/C26H20FN3O3S/c1-31-24-13-18-20(14-25(24)32-2)28-11-10-22(18)33-23-9-8-17(12-19(23)27)29-26-30-21(15-34-26)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,29,30)
InChIKeyZIOKLLOGXHVZMP-UHFFFAOYSA-N
MW473.53 g/mol
LogP7.05
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 11155711) has the molecular formula C26H20FN3O3S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID11155711
Molecular FormulaC26H20FN3O3S
Molecular Weight473.53 g/mol
Exact Mass473.12
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1cc2nccc(Oc3ccc(Nc4nc(-c5ccccc5)cs4)cc3F)c2cc1OC
InChIInChI=1S/C26H20FN3O3S/c1-31-24-13-18-20(14-25(24)32-2)28-11-10-22(18)33-23-9-8-17(12-19(23)27)29-26-30-21(15-34-26)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,29,30)
InChIKeyZIOKLLOGXHVZMP-UHFFFAOYSA-N
XLogP7.05
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine (CID 11155711) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine is COc1cc2nccc(Oc3ccc(Nc4nc(-c5ccccc5)cs4)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is ZIOKLLOGXHVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O3S/c1-31-24-13-18-20(14-25(24)32-2)28-11-10-22(18)33-23-9-8-17(12-19(23)27)29-26-30-21(15-34-26)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,29,30).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 473.53 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 11155711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).