(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide

C22H23FN2O6S — CID 143878405

IUPAC(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide
SMILESCC/C=C(\OC)S(=O)(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1F
InChIInChI=1S/C22H23FN2O6S/c1-5-6-22(30-4)32(26,27)25-17-8-7-14(11-16(17)23)31-19-9-10-24-18-13-21(29-3)20(28-2)12-15(18)19/h6-13,25H,5H2,1-4H3/b22-6+
InChIKeyZLVTTXZBMZCQEU-GEVRCRHISA-N
MW462.50 g/mol
LogP4.82
Rot. Bonds9

About (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide

(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide (PubChem CID 143878405) has the molecular formula C22H23FN2O6S and a molecular weight of 462.50 g/mol. Its IUPAC name is (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide
PubChem CID143878405
Molecular FormulaC22H23FN2O6S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC Name(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide
SMILESCC/C=C(\OC)S(=O)(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1F
InChIInChI=1S/C22H23FN2O6S/c1-5-6-22(30-4)32(26,27)25-17-8-7-14(11-16(17)23)31-19-9-10-24-18-13-21(29-3)20(28-2)12-15(18)19/h6-13,25H,5H2,1-4H3/b22-6+
InChIKeyZLVTTXZBMZCQEU-GEVRCRHISA-N
XLogP4.82
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 58229399
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(3,3-dimethylbutyl)urea
CID 23022829
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429
4-[3-fluoro-4-(4-propan-2-ylanilino)phenoxy]-6-methoxyquinolin-7-ol
CID 142235099
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
1-(2,4-difluorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-sulfanylidenepentan-2-one
CID 58249610
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 23118601
N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane
CID 178037456
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]thiophene-2-carboxamide
CID 58738934
N-(4-bromo-2-fluorophenyl)-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2,2-difluoroacetamide
CID 175247036

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide (CID 143878405) is (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide is CC/C=C(\OC)S(=O)(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1F.
What is the InChIKey of (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide?
The InChIKey is ZLVTTXZBMZCQEU-GEVRCRHISA-N. The full InChI is InChI=1S/C22H23FN2O6S/c1-5-6-22(30-4)32(26,27)25-17-8-7-14(11-16(17)23)31-19-9-10-24-18-13-21(29-3)20(28-2)12-15(18)19/h6-13,25H,5H2,1-4H3/b22-6+.
What are the key properties of (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide?
(E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide has a molecular weight of 462.50 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-methoxybut-1-ene-1-sulfonamide is sourced from PubChem (CID 143878405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).