2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide

C18H15Br2NO2 — CID 45050250

IUPAC2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide
SMILESBr.COc1ccc2nc(-c3ccccc3)c(C(=O)CBr)cc2c1
InChIInChI=1S/C18H14BrNO2.BrH/c1-22-14-7-8-16-13(9-14)10-15(17(21)11-19)18(20-16)12-5-3-2-4-6-12;/h2-10H,11H2,1H3;1H
InChIKeyFNHKAORCUWGSJG-UHFFFAOYSA-N
MW437.13 g/mol
LogP5.07
Rot. Bonds4

About 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide

2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide (PubChem CID 45050250) has the molecular formula C18H15Br2NO2 and a molecular weight of 437.13 g/mol. Its IUPAC name is 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide
PubChem CID45050250
Molecular FormulaC18H15Br2NO2
Molecular Weight437.13 g/mol
Exact Mass434.95
IUPAC Name2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide
SMILESBr.COc1ccc2nc(-c3ccccc3)c(C(=O)CBr)cc2c1
InChIInChI=1S/C18H14BrNO2.BrH/c1-22-14-7-8-16-13(9-14)10-15(17(21)11-19)18(20-16)12-5-3-2-4-6-12;/h2-10H,11H2,1H3;1H
InChIKeyFNHKAORCUWGSJG-UHFFFAOYSA-N
XLogP5.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.13
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide?
The IUPAC name of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide (CID 45050250) is 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide is Br.COc1ccc2nc(-c3ccccc3)c(C(=O)CBr)cc2c1.
What is the InChIKey of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide?
The InChIKey is FNHKAORCUWGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2.BrH/c1-22-14-7-8-16-13(9-14)10-15(17(21)11-19)18(20-16)12-5-3-2-4-6-12;/h2-10H,11H2,1H3;1H.
What are the key properties of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide?
2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide has a molecular weight of 437.13 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide is sourced from PubChem (CID 45050250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).