3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide

C18H23BrN2OS — CID 135030177

IUPAC3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide
SMILESCSC(Cc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H23BrN2OS/c1-11-6-12(7-13-9-14(19)10-20-16(11)13)8-15(23-5)17(22)21-18(2,3)4/h6-7,9-10,15H,8H2,1-5H3,(H,21,22)
InChIKeyCFGLTFXJBZOZIK-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.49
Rot. Bonds4

About 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide

3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide (PubChem CID 135030177) has the molecular formula C18H23BrN2OS and a molecular weight of 395.37 g/mol. Its IUPAC name is 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide
PubChem CID135030177
Molecular FormulaC18H23BrN2OS
Molecular Weight395.37 g/mol
Exact Mass394.07
IUPAC Name3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide
SMILESCSC(Cc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H23BrN2OS/c1-11-6-12(7-13-9-14(19)10-20-16(11)13)8-15(23-5)17(22)21-18(2,3)4/h6-7,9-10,15H,8H2,1-5H3,(H,21,22)
InChIKeyCFGLTFXJBZOZIK-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide
CID 68714295
2-(3-bromo-8-chloroquinolin-6-yl)oxy-N-tert-butyl-2-methylsulfanylacetamide
CID 67214082
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-(2-methyl-5-prop-2-enoxypent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 68511844
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[2-methyl-4-(2-methyloxiran-2-yl)but-3-yn-2-yl]-2-methylsulfanylacetamide
CID 87480462
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide
CID 87122007
N-tert-butyl-2-[3-(3-methoxyprop-1-ynyl)-8-methylquinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 59565379
N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
CID 59565364
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234
2-(3-bromo-8-methylquinolin-6-yl)oxy-6-hydroxy-3,3-dimethyl-2-methylsulfanylhex-4-ynamide
CID 142783855
2-(3-bromo-8-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 68513096
2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 89499195
(2R)-2-amino-N-(3-bromoquinolin-8-yl)-4-methylsulfanylbutanamide
CID 104909142

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide?
The IUPAC name of 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide (CID 135030177) is 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide.
What is the SMILES notation for 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide?
The canonical SMILES for 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide is CSC(Cc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide?
The InChIKey is CFGLTFXJBZOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2OS/c1-11-6-12(7-13-9-14(19)10-20-16(11)13)8-15(23-5)17(22)21-18(2,3)4/h6-7,9-10,15H,8H2,1-5H3,(H,21,22).
What are the key properties of 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide?
3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide has a molecular weight of 395.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide is sourced from PubChem (CID 135030177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).