2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide

C19H24BrN3O3 — CID 87122007

IUPAC2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide
SMILESCCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)/C=N/OC
InChIInChI=1S/C19H24BrN3O3/c1-6-16(18(24)23-19(3,4)11-22-25-5)26-15-7-12(2)17-13(9-15)8-14(20)10-21-17/h7-11,16H,6H2,1-5H3,(H,23,24)/b22-11+
InChIKeyHPZZGGCUFHWWFI-SSDVNMTOSA-N
MW422.32 g/mol
LogP3.99
Rot. Bonds7

About 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide

2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide (PubChem CID 87122007) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide.

Molecular Properties

Compound Name2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide
PubChem CID87122007
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Name2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide
SMILESCCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)/C=N/OC
InChIInChI=1S/C19H24BrN3O3/c1-6-16(18(24)23-19(3,4)11-22-25-5)26-15-7-12(2)17-13(9-15)8-14(20)10-21-17/h7-11,16H,6H2,1-5H3,(H,23,24)/b22-11+
InChIKeyHPZZGGCUFHWWFI-SSDVNMTOSA-N
XLogP3.99
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-8-methylquinolin-6-yl)oxy-N-tert-butylbutanamide
CID 68714295
N-[(1Z)-1-ethoxyimino-2-methylpropan-2-yl]-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
CID 87121945
N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide
CID 88889384
N-tert-butyl-2-(3-ethynyl-8-methylquinolin-6-yl)oxybutanamide
CID 59565364
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-1-prop-2-ynoxyiminopropan-2-yl)propanethioamide
CID 141233111
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
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[2-methyl-1-[(2,4,5-trichlorophenyl)methoxyimino]propan-2-yl]propanethioamide
CID 141233123
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-ethenyl-8-fluoroquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-methylsulfanylacetamide
CID 89499266
N-(2-cyano-1-methoxyiminopropan-2-yl)-2-(3-iodo-8-methylquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 90894726

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide?
The IUPAC name of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide (CID 87122007) is 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide.
What is the SMILES notation for 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide?
The canonical SMILES for 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide is CCC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NC(C)(C)/C=N/OC.
What is the InChIKey of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide?
The InChIKey is HPZZGGCUFHWWFI-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-6-16(18(24)23-19(3,4)11-22-25-5)26-15-7-12(2)17-13(9-15)8-14(20)10-21-17/h7-11,16H,6H2,1-5H3,(H,23,24)/b22-11+.
What are the key properties of 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide?
2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide has a molecular weight of 422.32 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-8-methylquinolin-6-yl)oxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]butanamide is sourced from PubChem (CID 87122007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).