tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate

C30H48N4O7S — CID 155618198

IUPACtert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
SMILESCOCCOc1cc2c(N3CCC(C(C)CNS(=O)(=O)N(C(=O)OC(C)(C)C)C(C)(C)C)CC3)ccnc2cc1OC
InChIInChI=1S/C30H48N4O7S/c1-21(20-32-42(36,37)34(29(2,3)4)28(35)41-30(5,6)7)22-11-14-33(15-12-22)25-10-13-31-24-19-26(39-9)27(18-23(24)25)40-17-16-38-8/h10,13,18-19,21-22,32H,11-12,14-17,20H2,1-9H3
InChIKeyZMBQRDFOXGMDRJ-UHFFFAOYSA-N
MW608.80 g/mol
LogP4.99
Rot. Bonds11

About tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate

tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate (PubChem CID 155618198) has the molecular formula C30H48N4O7S and a molecular weight of 608.80 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
PubChem CID155618198
Molecular FormulaC30H48N4O7S
Molecular Weight608.80 g/mol
Exact Mass608.32
IUPAC Nametert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
SMILESCOCCOc1cc2c(N3CCC(C(C)CNS(=O)(=O)N(C(=O)OC(C)(C)C)C(C)(C)C)CC3)ccnc2cc1OC
InChIInChI=1S/C30H48N4O7S/c1-21(20-32-42(36,37)34(29(2,3)4)28(35)41-30(5,6)7)22-11-14-33(15-12-22)25-10-13-31-24-19-26(39-9)27(18-23(24)25)40-17-16-38-8/h10,13,18-19,21-22,32H,11-12,14-17,20H2,1-9H3
InChIKeyZMBQRDFOXGMDRJ-UHFFFAOYSA-N
XLogP4.99
TPSA119.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.80
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

formic acid;6-(2-hydroxyethoxy)-7-methoxy-4-[4-[1-(2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]quinoline
CID 155125408
4-[4-[1-(2-cyclopropyl-2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline
CID 155618180
tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
CID 175192711
4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737
tert-butyl N-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]sulfamoyl]carbamate;N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropanamine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate;methane
CID 161290943
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
tert-butyl 2-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]butylsulfamoyl]acetate;2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]butan-1-amine;N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate
CID 158230289
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate (CID 155618198) is tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate is COCCOc1cc2c(N3CCC(C(C)CNS(=O)(=O)N(C(=O)OC(C)(C)C)C(C)(C)C)CC3)ccnc2cc1OC.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate?
The InChIKey is ZMBQRDFOXGMDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N4O7S/c1-21(20-32-42(36,37)34(29(2,3)4)28(35)41-30(5,6)7)22-11-14-33(15-12-22)25-10-13-31-24-19-26(39-9)27(18-23(24)25)40-17-16-38-8/h10,13,18-19,21-22,32H,11-12,14-17,20H2,1-9H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate has a molecular weight of 608.80 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate is sourced from PubChem (CID 155618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).