1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone

C18H18BrNO2 — CID 55915276

IUPAC1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO2/c19-16-8-9-17-15(11-16)7-4-10-20(17)18(21)13-22-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2
InChIKeyGBJDSCSYJWOLOH-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.95
Rot. Bonds4

About 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone

1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone (PubChem CID 55915276) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
PubChem CID55915276
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO2/c19-16-8-9-17-15(11-16)7-4-10-20(17)18(21)13-22-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2
InChIKeyGBJDSCSYJWOLOH-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60538172
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588
5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde
CID 7820189
4-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 56580624
tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylcarbamate
CID 56568100
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
benzyl 4-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)methyl]piperidine-1-carboxylate
CID 118355004
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110714230
N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 126812802

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone (CID 55915276) is 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCCc2cc(Br)ccc21.
What is the InChIKey of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone?
The InChIKey is GBJDSCSYJWOLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c19-16-8-9-17-15(11-16)7-4-10-20(17)18(21)13-22-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2.
What are the key properties of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone?
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone has a molecular weight of 360.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone is sourced from PubChem (CID 55915276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).