Skip to content

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

C30H48N4O7S — CID 155618198

Data last refreshed: (MolForge compound catalog, from PubChem)

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'}

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

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.