1-(quinolin-2-ylmethoxy)-3-sulfonylurea

C11H9N3O4S — CID 19825110

IUPAC1-(quinolin-2-ylmethoxy)-3-sulfonylurea
SMILESO=C(N=S(=O)=O)NOCc1ccc2ccccc2n1
InChIInChI=1S/C11H9N3O4S/c15-11(14-19(16)17)13-18-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2,(H,13,15)
InChIKeyCXGVJWSBDHUTNV-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.44
Rot. Bonds3

About 1-(quinolin-2-ylmethoxy)-3-sulfonylurea

1-(quinolin-2-ylmethoxy)-3-sulfonylurea (PubChem CID 19825110) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-(quinolin-2-ylmethoxy)-3-sulfonylurea.

Molecular Properties

Compound Name1-(quinolin-2-ylmethoxy)-3-sulfonylurea
PubChem CID19825110
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name1-(quinolin-2-ylmethoxy)-3-sulfonylurea
SMILESO=C(N=S(=O)=O)NOCc1ccc2ccccc2n1
InChIInChI=1S/C11H9N3O4S/c15-11(14-19(16)17)13-18-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2,(H,13,15)
InChIKeyCXGVJWSBDHUTNV-UHFFFAOYSA-N
XLogP1.44
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(quinolin-2-ylmethoxyamino)cyclobut-3-ene-1,2-dione
CID 142648858
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
2-(quinolin-2-ylmethylsulfinyl)acetic acid
CID 60983732
2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
quinolin-2-ylmethanesulfonamide
CID 43164320
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
3,4-diphenyl-4-(quinolin-2-ylmethoxy)but-3-en-2-one
CID 67124565
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-2-ylmethoxy)-3-sulfonylurea?
The IUPAC name of 1-(quinolin-2-ylmethoxy)-3-sulfonylurea (CID 19825110) is 1-(quinolin-2-ylmethoxy)-3-sulfonylurea.
What is the SMILES notation for 1-(quinolin-2-ylmethoxy)-3-sulfonylurea?
The canonical SMILES for 1-(quinolin-2-ylmethoxy)-3-sulfonylurea is O=C(N=S(=O)=O)NOCc1ccc2ccccc2n1.
What is the InChIKey of 1-(quinolin-2-ylmethoxy)-3-sulfonylurea?
The InChIKey is CXGVJWSBDHUTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-11(14-19(16)17)13-18-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2,(H,13,15).
What are the key properties of 1-(quinolin-2-ylmethoxy)-3-sulfonylurea?
1-(quinolin-2-ylmethoxy)-3-sulfonylurea has a molecular weight of 279.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-2-ylmethoxy)-3-sulfonylurea is sourced from PubChem (CID 19825110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).