methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate

C19H25N3O4S — CID 20938643

IUPACmethyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCN2CCCc3ccccc32)cn1C
InChIInChI=1S/C19H25N3O4S/c1-21-14-16(13-18(21)19(23)26-2)27(24,25)20-10-6-12-22-11-5-8-15-7-3-4-9-17(15)22/h3-4,7,9,13-14,20H,5-6,8,10-12H2,1-2H3
InChIKeyBRINYORRUHNSSJ-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.93
Rot. Bonds7

About methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 20938643) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID20938643
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Namemethyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCN2CCCc3ccccc32)cn1C
InChIInChI=1S/C19H25N3O4S/c1-21-14-16(13-18(21)19(23)26-2)27(24,25)20-10-6-12-22-11-5-8-15-7-3-4-9-17(15)22/h3-4,7,9,13-14,20H,5-6,8,10-12H2,1-2H3
InChIKeyBRINYORRUHNSSJ-UHFFFAOYSA-N
XLogP1.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[3-(2,3-dihydroindol-1-yl)propylsulfamoyl]-4-methylbenzoate
CID 37309226
methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
CID 6623799
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077
methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284055
methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
CID 20914102
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
CID 46284104
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 72864977
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-methylsulfonylbenzamide
CID 51123507
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46963655

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 20938643) is methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCCN2CCCc3ccccc32)cn1C.
What is the InChIKey of methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is BRINYORRUHNSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-21-14-16(13-18(21)19(23)26-2)27(24,25)20-10-6-12-22-11-5-8-15-7-3-4-9-17(15)22/h3-4,7,9,13-14,20H,5-6,8,10-12H2,1-2H3.
What are the key properties of methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 20938643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).