[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate

C16H15N3O6S — CID 154966615

IUPAC[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
SMILESCOc1cc2ncnc(Oc3ccc(OS(N)(=O)=O)cc3)c2cc1OC
InChIInChI=1S/C16H15N3O6S/c1-22-14-7-12-13(8-15(14)23-2)18-9-19-16(12)24-10-3-5-11(6-4-10)25-26(17,20)21/h3-9H,1-2H3,(H2,17,20,21)
InChIKeyHDEZVMJUEUBYOW-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.02
Rot. Bonds6

About [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate

[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate (PubChem CID 154966615) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
PubChem CID154966615
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC Name[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
SMILESCOc1cc2ncnc(Oc3ccc(OS(N)(=O)=O)cc3)c2cc1OC
InChIInChI=1S/C16H15N3O6S/c1-22-14-7-12-13(8-15(14)23-2)18-9-19-16(12)24-10-3-5-11(6-4-10)25-26(17,20)21/h3-9H,1-2H3,(H2,17,20,21)
InChIKeyHDEZVMJUEUBYOW-UHFFFAOYSA-N
XLogP2.02
TPSA122.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
3-(6,7-dimethoxyquinazolin-4-yl)oxybenzaldehyde
CID 76847933
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
CID 133489416
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66906894
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799
N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-iodobenzamide
CID 58738973

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate?
The IUPAC name of [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate (CID 154966615) is [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate.
What is the SMILES notation for [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate?
The canonical SMILES for [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate is COc1cc2ncnc(Oc3ccc(OS(N)(=O)=O)cc3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate?
The InChIKey is HDEZVMJUEUBYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-22-14-7-12-13(8-15(14)23-2)18-9-19-16(12)24-10-3-5-11(6-4-10)25-26(17,20)21/h3-9H,1-2H3,(H2,17,20,21).
What are the key properties of [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate?
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate has a molecular weight of 377.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate is sourced from PubChem (CID 154966615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).