[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide

C18H18N2O4S — CID 157102986

IUPAC[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide
SMILESCOc1ccc2c(Oc3ccc(CS(N)(=O)=O)c(C)c3)ccnc2c1
InChIInChI=1S/C18H18N2O4S/c1-12-9-15(4-3-13(12)11-25(19,21)22)24-18-7-8-20-17-10-14(23-2)5-6-16(17)18/h3-10H,11H2,1-2H3,(H2,19,21,22)
InChIKeyAFZBSBXJCDMIDA-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.13
Rot. Bonds5

About [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide

[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide (PubChem CID 157102986) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide
PubChem CID157102986
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide
SMILESCOc1ccc2c(Oc3ccc(CS(N)(=O)=O)c(C)c3)ccnc2c1
InChIInChI=1S/C18H18N2O4S/c1-12-9-15(4-3-13(12)11-25(19,21)22)24-18-7-8-20-17-10-14(23-2)5-6-16(17)18/h3-10H,11H2,1-2H3,(H2,19,21,22)
InChIKeyAFZBSBXJCDMIDA-UHFFFAOYSA-N
XLogP3.13
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,7-dimethoxyquinoline
CID 20743716
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
CID 59730748
[3-bromo-4-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 157040867
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 143070677
4-[4-[S-amino-N-[[(2S)-pyrrolidin-2-yl]methyl]sulfonimidoyl]phenoxy]-7-methoxyquinoline
CID 168797230
N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid
CID 67304696
1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886754
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
CID 166562049

Frequently Asked Questions

What is the IUPAC name of [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide?
The IUPAC name of [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide (CID 157102986) is [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide?
The canonical SMILES for [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide is COc1ccc2c(Oc3ccc(CS(N)(=O)=O)c(C)c3)ccnc2c1.
What is the InChIKey of [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide?
The InChIKey is AFZBSBXJCDMIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-9-15(4-3-13(12)11-25(19,21)22)24-18-7-8-20-17-10-14(23-2)5-6-16(17)18/h3-10H,11H2,1-2H3,(H2,19,21,22).
What are the key properties of [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide?
[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 157102986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).