4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide

C144H196BrN11O4S — CID 158009547

IUPAC4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide
SMILESCC(=O)Nc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1Br.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1C#N.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1NS(C)(=O)=O.CCc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.Cc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12
InChIInChI=1S/C19H26N2O.C19H27N.C18H26N2O2S.C18H22N2.C18H25NO.C18H25N.C17H22BrN.C17H23N/c1-12(22)21-17-13-9-8-10-14(18(2,3)4)16(13)20-11-15(17)19(5,6)7;1-8-13-14-10-9-11-15(18(2,3)4)17(14)20-12-16(13)19(5,6)7;1-17(2,3)13-10-8-9-12-15(13)19-11-14(18(4,5)6)16(12)20-23(7,21)22;1-17(2,3)14-9-7-8-12-13(10-19)15(18(4,5)6)11-20-16(12)14;1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6;1-12-13-9-8-10-14(17(2,3)4)16(13)19-11-15(12)18(5,6)7;1-16(2,3)12-9-7-8-11-14(18)13(17(4,5)6)10-19-15(11)12;1-16(2,3)13-10-12-8-7-9-14(17(4,5)6)15(12)18-11-13/h8-11H,1-7H3,(H,20,21,22);9-12H,8H2,1-7H3;8-11H,1-7H3,(H,19,20);7-9,11H,1-6H3;8-11H,1-7H3;8-11H,1-7H3;7-10H,1-6H3;7-11H,1-6H3
InChIKeyFESDTFMLXYZEPD-UHFFFAOYSA-N
MW2257.20 g/mol
LogP39.48
Rot. Bonds5

About 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide

4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide (PubChem CID 158009547) has the molecular formula C144H196BrN11O4S and a molecular weight of 2257.20 g/mol. Its IUPAC name is 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide
PubChem CID158009547
Molecular FormulaC144H196BrN11O4S
Molecular Weight2257.20 g/mol
Exact Mass2254.44
IUPAC Name4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide
SMILESCC(=O)Nc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1Br.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1C#N.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1NS(C)(=O)=O.CCc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.Cc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12
InChIInChI=1S/C19H26N2O.C19H27N.C18H26N2O2S.C18H22N2.C18H25NO.C18H25N.C17H22BrN.C17H23N/c1-12(22)21-17-13-9-8-10-14(18(2,3)4)16(13)20-11-15(17)19(5,6)7;1-8-13-14-10-9-11-15(18(2,3)4)17(14)20-12-16(13)19(5,6)7;1-17(2,3)13-10-8-9-12-15(13)19-11-14(18(4,5)6)16(12)20-23(7,21)22;1-17(2,3)14-9-7-8-12-13(10-19)15(18(4,5)6)11-20-16(12)14;1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6;1-12-13-9-8-10-14(17(2,3)4)16(13)19-11-15(12)18(5,6)7;1-16(2,3)12-9-7-8-11-14(18)13(17(4,5)6)10-19-15(11)12;1-16(2,3)13-10-12-8-7-9-14(17(4,5)6)15(12)18-11-13/h8-11H,1-7H3,(H,20,21,22);9-12H,8H2,1-7H3;8-11H,1-7H3,(H,19,20);7-9,11H,1-6H3;8-11H,1-7H3;8-11H,1-7H3;7-10H,1-6H3;7-11H,1-6H3
InChIKeyFESDTFMLXYZEPD-UHFFFAOYSA-N
XLogP39.48
TPSA211.41 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002257.20
LogP ≤ 539.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide?
The IUPAC name of 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide (CID 158009547) is 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide.
What is the SMILES notation for 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide?
The canonical SMILES for 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide is CC(=O)Nc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1Br.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1C#N.CC(C)(C)c1cnc2c(C(C)(C)C)cccc2c1NS(C)(=O)=O.CCc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.COc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.Cc1c(C(C)(C)C)cnc2c(C(C)(C)C)cccc12.
What is the InChIKey of 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide?
The InChIKey is FESDTFMLXYZEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.C19H27N.C18H26N2O2S.C18H22N2.C18H25NO.C18H25N.C17H22BrN.C17H23N/c1-12(22)21-17-13-9-8-10-14(18(2,3)4)16(13)20-11-15(17)19(5,6)7;1-8-13-14-10-9-11-15(18(2,3)4)17(14)20-12-16(13)19(5,6)7;1-17(2,3)13-10-8-9-12-15(13)19-11-14(18(4,5)6)16(12)20-23(7,21)22;1-17(2,3)14-9-7-8-12-13(10-19)15(18(4,5)6)11-20-16(12)14;1-17(2,3)13-10-8-9-12-15(13)19-11-14(16(12)20-7)18(4,5)6;1-12-13-9-8-10-14(17(2,3)4)16(13)19-11-15(12)18(5,6)7;1-16(2,3)12-9-7-8-11-14(18)13(17(4,5)6)10-19-15(11)12;1-16(2,3)13-10-12-8-7-9-14(17(4,5)6)15(12)18-11-13/h8-11H,1-7H3,(H,20,21,22);9-12H,8H2,1-7H3;8-11H,1-7H3,(H,19,20);7-9,11H,1-6H3;8-11H,1-7H3;8-11H,1-7H3;7-10H,1-6H3;7-11H,1-6H3.
What are the key properties of 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide?
4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide has a molecular weight of 2257.20 g/mol, XLogP of 39.48, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,8-ditert-butylquinoline;3,8-ditert-butyl-4-ethylquinoline;3,8-ditert-butyl-4-methoxyquinoline;3,8-ditert-butyl-4-methylquinoline;3,8-ditert-butylquinoline;3,8-ditert-butylquinoline-4-carbonitrile;N-(3,8-ditert-butylquinolin-4-yl)acetamide;N-(3,8-ditert-butylquinolin-4-yl)methanesulfonamide is sourced from PubChem (CID 158009547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).