N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C25H29N3O4S — CID 55513246

IUPACN,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C25H29N3O4S/c1-4-27(5-2)33(30,31)21-13-14-23-20(16-21)12-9-15-28(23)24(29)17-22-18(3)32-25(26-22)19-10-7-6-8-11-19/h6-8,10-11,13-14,16H,4-5,9,12,15,17H2,1-3H3
InChIKeyFKWNCLATWYLNJP-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.20
Rot. Bonds7

About N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55513246) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55513246
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C25H29N3O4S/c1-4-27(5-2)33(30,31)21-13-14-23-20(16-21)12-9-15-28(23)24(29)17-22-18(3)32-25(26-22)19-10-7-6-8-11-19/h6-8,10-11,13-14,16H,4-5,9,12,15,17H2,1-3H3
InChIKeyFKWNCLATWYLNJP-UHFFFAOYSA-N
XLogP4.20
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513326
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone
CID 110371938
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
CID 55435420
N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435258
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134030951

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55513246) is N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1nc(-c2ccccc2)oc1C.
What is the InChIKey of N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is FKWNCLATWYLNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-4-27(5-2)33(30,31)21-13-14-23-20(16-21)12-9-15-28(23)24(29)17-22-18(3)32-25(26-22)19-10-7-6-8-11-19/h6-8,10-11,13-14,16H,4-5,9,12,15,17H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 467.59 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55513246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).