2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C12H14BrNO2 — CID 63681436

IUPAC2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1cccc2c1N(C(=O)CBr)CCC2
InChIInChI=1S/C12H14BrNO2/c1-16-10-6-2-4-9-5-3-7-14(12(9)10)11(15)8-13/h2,4,6H,3,5,7-8H2,1H3
InChIKeyVWHPINVZDXLAQT-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.37
Rot. Bonds2

About 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 63681436) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID63681436
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1cccc2c1N(C(=O)CBr)CCC2
InChIInChI=1S/C12H14BrNO2/c1-16-10-6-2-4-9-5-3-7-14(12(9)10)11(15)8-13/h2,4,6H,3,5,7-8H2,1H3
InChIKeyVWHPINVZDXLAQT-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 54876637
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
3-(ethylamino)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62834203
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
(1-aminocyclohexyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951658
2-(4-bromo-2-fluorophenoxy)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43066673
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
2-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 54876805
5-bromo-N-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55873127
2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 60951388

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 63681436) is 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1cccc2c1N(C(=O)CBr)CCC2.
What is the InChIKey of 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is VWHPINVZDXLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-10-6-2-4-9-5-3-7-14(12(9)10)11(15)8-13/h2,4,6H,3,5,7-8H2,1H3.
What are the key properties of 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 284.15 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 63681436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).