methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate

C30H35F3N4O5S — CID 67384030

IUPACmethyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
SMILESCOC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(S(=O)(=O)N(C)C)cc12
InChIInChI=1S/C30H35F3N4O5S/c1-35(2)43(39,40)23-7-8-26-24(18-23)27(29(38)41-3)25(28(34-26)20-5-4-6-21(17-20)30(31,32)33)19-36-11-9-22(10-12-36)37-13-15-42-16-14-37/h4-8,17-18,22H,9-16,19H2,1-3H3
InChIKeyHKBTXDRWOGBYPO-UHFFFAOYSA-N
MW620.69 g/mol
LogP4.25
Rot. Bonds7

About methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate

methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate (PubChem CID 67384030) has the molecular formula C30H35F3N4O5S and a molecular weight of 620.69 g/mol. Its IUPAC name is methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
PubChem CID67384030
Molecular FormulaC30H35F3N4O5S
Molecular Weight620.69 g/mol
Exact Mass620.23
IUPAC Namemethyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
SMILESCOC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(S(=O)(=O)N(C)C)cc12
InChIInChI=1S/C30H35F3N4O5S/c1-35(2)43(39,40)23-7-8-26-24(18-23)27(29(38)41-3)25(28(34-26)20-5-4-6-21(17-20)30(31,32)33)19-36-11-9-22(10-12-36)37-13-15-42-16-14-37/h4-8,17-18,22H,9-16,19H2,1-3H3
InChIKeyHKBTXDRWOGBYPO-UHFFFAOYSA-N
XLogP4.25
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.69
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate?
The IUPAC name of methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate (CID 67384030) is methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate is COC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2ccc(S(=O)(=O)N(C)C)cc12.
What is the InChIKey of methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate?
The InChIKey is HKBTXDRWOGBYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N4O5S/c1-35(2)43(39,40)23-7-8-26-24(18-23)27(29(38)41-3)25(28(34-26)20-5-4-6-21(17-20)30(31,32)33)19-36-11-9-22(10-12-36)37-13-15-42-16-14-37/h4-8,17-18,22H,9-16,19H2,1-3H3.
What are the key properties of methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate?
methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate has a molecular weight of 620.69 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate is sourced from PubChem (CID 67384030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).