N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H16N2O5S — CID 110279393

IUPACN-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cnc2c1
InChIInChI=1S/C18H16N2O5S/c1-23-14-3-2-12-8-13(11-19-16(12)9-14)20-26(21,22)15-4-5-17-18(10-15)25-7-6-24-17/h2-5,8-11,20H,6-7H2,1H3
InChIKeyISBDYLBUQYWBJT-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.82
Rot. Bonds4

About N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 110279393) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID110279393
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1ccc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cnc2c1
InChIInChI=1S/C18H16N2O5S/c1-23-14-3-2-12-8-13(11-19-16(12)9-14)20-26(21,22)15-4-5-17-18(10-15)25-7-6-24-17/h2-5,8-11,20H,6-7H2,1H3
InChIKeyISBDYLBUQYWBJT-UHFFFAOYSA-N
XLogP2.82
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-[2-(dimethylamino)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71790233
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60791769
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776965
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 811934
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2,4-dimethoxybenzamide
CID 46669494
N-[(6-methoxynaphthalen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 46696307
N-[2-(4-methoxyphenyl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091712
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 110279393) is N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1ccc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cnc2c1.
What is the InChIKey of N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is ISBDYLBUQYWBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-23-14-3-2-12-8-13(11-19-16(12)9-14)20-26(21,22)15-4-5-17-18(10-15)25-7-6-24-17/h2-5,8-11,20H,6-7H2,1H3.
What are the key properties of N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 372.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxyquinolin-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 110279393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).