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

C18H14BrNO2 — CID 5171342

IUPAC2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone
SMILESCOc1ccc2nc(-c3ccccc3)c(C(=O)CBr)cc2c1
InChIInChI=1S/C18H14BrNO2/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
InChIKeyVETVDVXMGJECCS-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.49
Rot. Bonds4

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

2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone (PubChem CID 5171342) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone
PubChem CID5171342
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone
SMILESCOc1ccc2nc(-c3ccccc3)c(C(=O)CBr)cc2c1
InChIInChI=1S/C18H14BrNO2/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
InChIKeyVETVDVXMGJECCS-UHFFFAOYSA-N
XLogP4.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.49
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-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone;hydrobromide
CID 45050250
3-(bromomethyl)-6-methoxy-2-phenylquinoline
CID 67199058
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
[2-(4-bromophenyl)quinolin-3-yl]-(4-methoxyphenyl)methanone
CID 164676439
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone
CID 59113906
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanone;trimethyl(phenyl)azanium;bromide;dihydrobromide
CID 173170391
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone (CID 5171342) is 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone is COc1ccc2nc(-c3ccccc3)c(C(=O)CBr)cc2c1.
What is the InChIKey of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone?
The InChIKey is VETVDVXMGJECCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/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.
What are the key properties of 2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone?
2-bromo-1-(6-methoxy-2-phenylquinolin-3-yl)ethanone has a molecular weight of 356.22 g/mol, XLogP of 4.49, 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 is sourced from PubChem (CID 5171342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).