7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline

C16H22N4O3S — CID 163274805

IUPAC7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline
SMILESCOc1ccc2c(N3CC(CCN(C)S(N)(=O)=O)C3)ccnc2c1
InChIInChI=1S/C16H22N4O3S/c1-19(24(17,21)22)8-6-12-10-20(11-12)16-5-7-18-15-9-13(23-2)3-4-14(15)16/h3-5,7,9,12H,6,8,10-11H2,1-2H3,(H2,17,21,22)
InChIKeyQLHAMCYACXSAMX-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.21
Rot. Bonds6

About 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline

7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline (PubChem CID 163274805) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline
PubChem CID163274805
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline
SMILESCOc1ccc2c(N3CC(CCN(C)S(N)(=O)=O)C3)ccnc2c1
InChIInChI=1S/C16H22N4O3S/c1-19(24(17,21)22)8-6-12-10-20(11-12)16-5-7-18-15-9-13(23-2)3-4-14(15)16/h3-5,7,9,12H,6,8,10-11H2,1-2H3,(H2,17,21,22)
InChIKeyQLHAMCYACXSAMX-UHFFFAOYSA-N
XLogP1.21
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline with MolForge

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Related Compounds

2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
CID 175192711
diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane
CID 177346116
7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline
CID 177346031
[1-(7-methoxyquinolin-4-yl)-2,3-dihydroindol-5-yl]methanesulfonamide
CID 161296977
2-imino-6-(7-methoxyquinolin-4-yl)-2λ6-thia-6-azaspiro[3.3]heptane 2-oxide
CID 166561971
2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926740
7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
CID 166187818
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
CID 155125423
4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline
CID 154575981
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline?
The IUPAC name of 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline (CID 163274805) is 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline.
What is the SMILES notation for 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline?
The canonical SMILES for 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline is COc1ccc2c(N3CC(CCN(C)S(N)(=O)=O)C3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline?
The InChIKey is QLHAMCYACXSAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-19(24(17,21)22)8-6-12-10-20(11-12)16-5-7-18-15-9-13(23-2)3-4-14(15)16/h3-5,7,9,12H,6,8,10-11H2,1-2H3,(H2,17,21,22).
What are the key properties of 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline?
7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline has a molecular weight of 350.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline is sourced from PubChem (CID 163274805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).