2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine

C16H23N5O4S — CID 163275192

IUPAC2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine
SMILESCNS(=O)(=O)NCCC1CN(c2ncnc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C16H23N5O4S/c1-17-26(22,23)20-5-4-11-8-21(9-11)16-12-6-14(24-2)15(25-3)7-13(12)18-10-19-16/h6-7,10-11,17,20H,4-5,8-9H2,1-3H3
InChIKeyIHIWMRMJXNJHCK-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.53
Rot. Bonds8

About 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine

2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine (PubChem CID 163275192) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine.

Molecular Properties

Compound Name2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine
PubChem CID163275192
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine
SMILESCNS(=O)(=O)NCCC1CN(c2ncnc3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C16H23N5O4S/c1-17-26(22,23)20-5-4-11-8-21(9-11)16-12-6-14(24-2)15(25-3)7-13(12)18-10-19-16/h6-7,10-11,17,20H,4-5,8-9H2,1-3H3
InChIKeyIHIWMRMJXNJHCK-UHFFFAOYSA-N
XLogP0.53
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
CID 164991759
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
3-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]propanoic acid
CID 163274731
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate
CID 163274875
6,7-dimethoxy-4-[4-[3-(sulfamoylamino)propyl]-1,4-diazepan-1-yl]quinazoline
CID 166712968
2-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethylsulfamic acid;hydrochloride
CID 166071329
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
1-(6,7-dimethoxyquinazolin-4-yl)-N,N-dimethylazetidine-3-carboxamide
CID 171705302
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
CID 156824030

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine?
The IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine (CID 163275192) is 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine.
What is the SMILES notation for 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine?
The canonical SMILES for 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine is CNS(=O)(=O)NCCC1CN(c2ncnc3cc(OC)c(OC)cc23)C1.
What is the InChIKey of 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine?
The InChIKey is IHIWMRMJXNJHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-17-26(22,23)20-5-4-11-8-21(9-11)16-12-6-14(24-2)15(25-3)7-13(12)18-10-19-16/h6-7,10-11,17,20H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine?
2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine has a molecular weight of 381.46 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine is sourced from PubChem (CID 163275192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).