2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide

C18H23BrN2O2 — CID 68714295

IUPAC2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide
SMILESCCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H23BrN2O2/c1-6-15(17(22)21-18(3,4)5)23-14-7-11(2)16-12(9-14)8-13(19)10-20-16/h7-10,15H,6H2,1-5H3,(H,21,22)
InChIKeyOGGZJVVWCUSLLE-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.38
Rot. Bonds4

About 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide

2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide (PubChem CID 68714295) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide.

Molecular Properties

Compound Name2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide
PubChem CID68714295
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide
SMILESCCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H23BrN2O2/c1-6-15(17(22)21-18(3,4)5)23-14-7-11(2)16-12(9-14)8-13(19)10-20-16/h7-10,15H,6H2,1-5H3,(H,21,22)
InChIKeyOGGZJVVWCUSLLE-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide
CID 87122007
N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
CID 59565364
2-(3-bromo-8-chloroquinolin-6-yl)oxy-N-(2-pyridin-2-ylpropan-2-yl)butanamide
CID 164525066
(2R)-2-(3-bromo-8-chloroquinolin-6-yl)oxy-N-(2-pyridin-2-ylpropan-2-yl)butanamide
CID 164525075
3-(3-bromo-8-methylquinolin-6-yl)-N-tert-butyl-2-methylsulfanylpropanamide
CID 135030177
N-[(1Z)-1-ethoxyimino-2-methylpropan-2-yl]-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
CID 87121945
2-(3-bromo-8-chloroquinolin-6-yl)oxy-N-tert-butyl-2-methylsulfanylacetamide
CID 67214082
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-(1-hydroxyimino-2-methylpropan-2-yl)propanethioamide
CID 141233118
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-(2-methyl-5-prop-2-enoxypent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 68511844
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
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
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
CID 53289145

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide?
The IUPAC name of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide (CID 68714295) is 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide.
What is the SMILES notation for 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide?
The canonical SMILES for 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide is CCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide?
The InChIKey is OGGZJVVWCUSLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-6-15(17(22)21-18(3,4)5)23-14-7-11(2)16-12(9-14)8-13(19)10-20-16/h7-10,15H,6H2,1-5H3,(H,21,22).
What are the key properties of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide?
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide has a molecular weight of 379.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide is sourced from PubChem (CID 68714295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).