N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide

C18H15N3O4S — CID 131933717

IUPACN-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide
SMILESCN(Cc1cccc2cccnc12)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H15N3O4S/c1-21(11-13-5-2-4-12-6-3-9-19-17(12)13)26(23,24)14-7-8-16-15(10-14)20-18(22)25-16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyBRMLGLPMMUAGME-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.49
Rot. Bonds4

About N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide

N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 131933717) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID131933717
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide
SMILESCN(Cc1cccc2cccnc12)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H15N3O4S/c1-21(11-13-5-2-4-12-6-3-9-19-17(12)13)26(23,24)14-7-8-16-15(10-14)20-18(22)25-16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyBRMLGLPMMUAGME-UHFFFAOYSA-N
XLogP2.49
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110724834
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288023
N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 46551770
4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
CID 42929119
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
N-[(4-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 167846629
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-sulfonamide
CID 131933234
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide (CID 131933717) is N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide is CN(Cc1cccc2cccnc12)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is BRMLGLPMMUAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-21(11-13-5-2-4-12-6-3-9-19-17(12)13)26(23,24)14-7-8-16-15(10-14)20-18(22)25-16/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide?
N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 369.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 131933717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).