methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate

C23H28N2O6S — CID 55871968

IUPACmethyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(OCC(=O)OC)c1
InChIInChI=1S/C23H28N2O6S/c1-4-24(5-2)32(28,29)20-11-12-21-17(15-20)9-7-13-25(21)23(27)18-8-6-10-19(14-18)31-16-22(26)30-3/h6,8,10-12,14-15H,4-5,7,9,13,16H2,1-3H3
InChIKeyHCRHXHQZZYIVRZ-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.86
Rot. Bonds8

About methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate

methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate (PubChem CID 55871968) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
PubChem CID55871968
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Namemethyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(OCC(=O)OC)c1
InChIInChI=1S/C23H28N2O6S/c1-4-24(5-2)32(28,29)20-11-12-21-17(15-20)9-7-13-25(21)23(27)18-8-6-10-19(14-18)31-16-22(26)30-3/h6,8,10-12,14-15H,4-5,7,9,13,16H2,1-3H3
InChIKeyHCRHXHQZZYIVRZ-UHFFFAOYSA-N
XLogP2.86
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate with MolForge

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Related Compounds

N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
CID 55448230
N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 55772271
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 60560523
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N,N-diethyl-1-[4-(oxolan-2-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435482
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate (CID 55871968) is methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate?
The InChIKey is HCRHXHQZZYIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-4-24(5-2)32(28,29)20-11-12-21-17(15-20)9-7-13-25(21)23(27)18-8-6-10-19(14-18)31-16-22(26)30-3/h6,8,10-12,14-15H,4-5,7,9,13,16H2,1-3H3.
What are the key properties of methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate?
methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate has a molecular weight of 460.55 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate is sourced from PubChem (CID 55871968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).