8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline

C15H21N5O3S — CID 163275369

IUPAC8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
SMILESCCOc1cccc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc12
InChIInChI=1S/C15H21N5O3S/c1-2-23-13-5-3-4-12-14(13)17-10-18-15(12)20-8-11(9-20)6-7-19-24(16,21)22/h3-5,10-11,19H,2,6-9H2,1H3,(H2,16,21,22)
InChIKeyMEWIGAILCXEQRL-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.65
Rot. Bonds7

About 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline

8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline (PubChem CID 163275369) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
PubChem CID163275369
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
SMILESCCOc1cccc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc12
InChIInChI=1S/C15H21N5O3S/c1-2-23-13-5-3-4-12-14(13)17-10-18-15(12)20-8-11(9-20)6-7-19-24(16,21)22/h3-5,10-11,19H,2,6-9H2,1H3,(H2,16,21,22)
InChIKeyMEWIGAILCXEQRL-UHFFFAOYSA-N
XLogP0.65
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
CID 164991759
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
CID 163275284
2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine
CID 163275192
6-bromo-5-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 163274944
6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
CID 165038150
[1-[8-(fluoromethoxy)quinazolin-4-yl]piperidin-4-yl]methyl-imino-methyl-oxo-λ6-sulfane
CID 166561973
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
CID 159739862
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
6,7-dimethoxy-1-oxo-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]-2H-isoquinoline
CID 163275437
1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003395
2-diethoxyphosphoryl-4-[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]butan-1-ol
CID 166527069
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 154575671

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The IUPAC name of 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline (CID 163275369) is 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline.
What is the SMILES notation for 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The canonical SMILES for 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline is CCOc1cccc2c(N3CC(CCNS(N)(=O)=O)C3)ncnc12.
What is the InChIKey of 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The InChIKey is MEWIGAILCXEQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-2-23-13-5-3-4-12-14(13)17-10-18-15(12)20-8-11(9-20)6-7-19-24(16,21)22/h3-5,10-11,19H,2,6-9H2,1H3,(H2,16,21,22).
What are the key properties of 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline has a molecular weight of 351.43 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline is sourced from PubChem (CID 163275369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).