1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea

C23H30N4O4S — CID 55435420

IUPAC1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N4O4S/c1-3-26(4-2)32(30,31)20-12-13-21-18(17-20)9-8-16-27(21)22(28)14-15-24-23(29)25-19-10-6-5-7-11-19/h5-7,10-13,17H,3-4,8-9,14-16H2,1-2H3,(H2,24,25,29)
InChIKeyLWFAMVWXUUZCKM-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.21
Rot. Bonds8

About 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea

1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea (PubChem CID 55435420) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
PubChem CID55435420
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C23H30N4O4S/c1-3-26(4-2)32(30,31)20-12-13-21-18(17-20)9-8-16-27(21)22(28)14-15-24-23(29)25-19-10-6-5-7-11-19/h5-7,10-13,17H,3-4,8-9,14-16H2,1-2H3,(H2,24,25,29)
InChIKeyLWFAMVWXUUZCKM-UHFFFAOYSA-N
XLogP3.21
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
N,N-diethyl-1-[2-(1-phenylpyrazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513326
N,N-diethyl-1-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55447787
N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 46535281
N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513246
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435327
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea?
The IUPAC name of 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea (CID 55435420) is 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea?
The canonical SMILES for 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea?
The InChIKey is LWFAMVWXUUZCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-3-26(4-2)32(30,31)20-12-13-21-18(17-20)9-8-16-27(21)22(28)14-15-24-23(29)25-19-10-6-5-7-11-19/h5-7,10-13,17H,3-4,8-9,14-16H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea?
1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea has a molecular weight of 458.58 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea is sourced from PubChem (CID 55435420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).