N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H28N4O3S — CID 55513326

IUPACN,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H28N4O3S/c1-3-26(4-2)32(30,31)22-12-13-23-20(16-22)9-8-14-27(23)24(29)15-19-17-25-28(18-19)21-10-6-5-7-11-21/h5-7,10-13,16-18H,3-4,8-9,14-15H2,1-2H3
InChIKeyBIXYNPKJJTYPAN-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.42
Rot. Bonds7

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

N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55513326) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55513326
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H28N4O3S/c1-3-26(4-2)32(30,31)22-12-13-23-20(16-22)9-8-14-27(23)24(29)15-19-17-25-28(18-19)21-10-6-5-7-11-21/h5-7,10-13,16-18H,3-4,8-9,14-15H2,1-2H3
InChIKeyBIXYNPKJJTYPAN-UHFFFAOYSA-N
XLogP3.42
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513246
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55633412
1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
CID 55435420
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435258
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435327
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55513326) is N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is BIXYNPKJJTYPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-26(4-2)32(30,31)22-12-13-23-20(16-22)9-8-14-27(23)24(29)15-19-17-25-28(18-19)21-10-6-5-7-11-21/h5-7,10-13,16-18H,3-4,8-9,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.42, 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-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55513326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).