N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide

C26H27N3O5S — CID 68904786

IUPACN-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide
SMILESCOCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C26H27N3O5S/c1-19-8-6-9-20-16-21(26(30)28-25(19)20)18-29(14-7-15-33-2)35(31,32)23-12-13-24(27-17-23)34-22-10-4-3-5-11-22/h3-6,8-13,16-17H,7,14-15,18H2,1-2H3,(H,28,30)
InChIKeyASZBRGYYXNPBJY-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.25
Rot. Bonds10

About N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide

N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide (PubChem CID 68904786) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide
PubChem CID68904786
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide
SMILESCOCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C26H27N3O5S/c1-19-8-6-9-20-16-21(26(30)28-25(19)20)18-29(14-7-15-33-2)35(31,32)23-12-13-24(27-17-23)34-22-10-4-3-5-11-22/h3-6,8-13,16-17H,7,14-15,18H2,1-2H3,(H,28,30)
InChIKeyASZBRGYYXNPBJY-UHFFFAOYSA-N
XLogP4.25
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide with MolForge

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Related Compounds

N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
CID 68901888
4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 24850392
4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 24850393
N-(3-hydroxypropyl)-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3186013
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1168903
3-chloro-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1161490
N-[(4-methoxyphenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 1161532
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 1168813
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1169987
2-methoxy-N-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1425529
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3149286

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide (CID 68904786) is N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide is COCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide?
The InChIKey is ASZBRGYYXNPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-19-8-6-9-20-16-21(26(30)28-25(19)20)18-29(14-7-15-33-2)35(31,32)23-12-13-24(27-17-23)34-22-10-4-3-5-11-22/h3-6,8-13,16-17H,7,14-15,18H2,1-2H3,(H,28,30).
What are the key properties of N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide?
N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide has a molecular weight of 493.59 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide is sourced from PubChem (CID 68904786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).