2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one

C15H18BrNO3 — CID 82258697

IUPAC2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
SMILESCOCC(=O)N1CCCc2cc(C(=O)C(C)Br)ccc21
InChIInChI=1S/C15H18BrNO3/c1-10(16)15(19)12-5-6-13-11(8-12)4-3-7-17(13)14(18)9-20-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyXZYOKZYIHXNKGS-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.58
Rot. Bonds4

About 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one

2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one (PubChem CID 82258697) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one.

Molecular Properties

Compound Name2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
PubChem CID82258697
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
SMILESCOCC(=O)N1CCCc2cc(C(=O)C(C)Br)ccc21
InChIInChI=1S/C15H18BrNO3/c1-10(16)15(19)12-5-6-13-11(8-12)4-3-7-17(13)14(18)9-20-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyXZYOKZYIHXNKGS-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[1-(2-methoxyacetyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82259088
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
4-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]butanoic acid
CID 82260139
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-bromobutan-1-one
CID 82136334
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60538172
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955739
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propan-1-one;ethane
CID 170705246
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
1-[6-(2-aminoacetyl)-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
CID 82341227
2-bromo-3-methyl-1-[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258869

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one?
The IUPAC name of 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one (CID 82258697) is 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one.
What is the SMILES notation for 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one?
The canonical SMILES for 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one is COCC(=O)N1CCCc2cc(C(=O)C(C)Br)ccc21.
What is the InChIKey of 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one?
The InChIKey is XZYOKZYIHXNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-10(16)15(19)12-5-6-13-11(8-12)4-3-7-17(13)14(18)9-20-2/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one?
2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one has a molecular weight of 340.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one is sourced from PubChem (CID 82258697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).