tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate

C19H27N5O5S — CID 163274875

IUPACtert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate
SMILESCOc1ccc2c(N3CC(CCNS(=O)(=O)NC(=O)OC(C)(C)C)C3)ncnc2c1
InChIInChI=1S/C19H27N5O5S/c1-19(2,3)29-18(25)23-30(26,27)22-8-7-13-10-24(11-13)17-15-6-5-14(28-4)9-16(15)20-12-21-17/h5-6,9,12-13,22H,7-8,10-11H2,1-4H3,(H,23,25)
InChIKeyIRRUALLJUARFSB-UHFFFAOYSA-N
MW437.52 g/mol
LogP1.82
Rot. Bonds7

About tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate

tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate (PubChem CID 163274875) has the molecular formula C19H27N5O5S and a molecular weight of 437.52 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate
PubChem CID163274875
Molecular FormulaC19H27N5O5S
Molecular Weight437.52 g/mol
Exact Mass437.17
IUPAC Nametert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate
SMILESCOc1ccc2c(N3CC(CCNS(=O)(=O)NC(=O)OC(C)(C)C)C3)ncnc2c1
InChIInChI=1S/C19H27N5O5S/c1-19(2,3)29-18(25)23-30(26,27)22-8-7-13-10-24(11-13)17-15-6-5-14(28-4)9-16(15)20-12-21-17/h5-6,9,12-13,22H,7-8,10-11H2,1-4H3,(H,23,25)
InChIKeyIRRUALLJUARFSB-UHFFFAOYSA-N
XLogP1.82
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate with MolForge

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Related Compounds

7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
CID 54583395
2-[1-(6,7-dimethoxyquinazolin-4-yl)azetidin-3-yl]-N-(methylsulfamoyl)ethanamine
CID 163275192
tert-butyl N-[3-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]propylsulfamoyl]carbamate
CID 166712993
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
CID 163275284
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
tert-butyl N-[2-[1-(7-carboniodidoyl-6-methoxyquinazolin-4-yl)piperidin-4-yl]butylsulfamoyl]carbamate
CID 155697812
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid
CID 154673037
6-(methoxymethoxy)-7-methyl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
CID 164991759
tert-butyl N-[1-(7-methylquinazolin-4-yl)piperidin-4-yl]carbamate
CID 143371287
tert-butyl N-[[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]methylsulfamoyl]carbamate
CID 157040016
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate (CID 163274875) is tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate is COc1ccc2c(N3CC(CCNS(=O)(=O)NC(=O)OC(C)(C)C)C3)ncnc2c1.
What is the InChIKey of tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate?
The InChIKey is IRRUALLJUARFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5S/c1-19(2,3)29-18(25)23-30(26,27)22-8-7-13-10-24(11-13)17-15-6-5-14(28-4)9-16(15)20-12-21-17/h5-6,9,12-13,22H,7-8,10-11H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate?
tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate has a molecular weight of 437.52 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(7-methoxyquinazolin-4-yl)azetidin-3-yl]ethylsulfamoyl]carbamate is sourced from PubChem (CID 163274875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).