2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C17H16BrNO2 — CID 730148

IUPAC2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCCc2ccccc21
InChIInChI=1S/C17H16BrNO2/c18-14-7-9-15(10-8-14)21-12-17(20)19-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,3,5,11-12H2
InChIKeyUAVQRADFOYBUSN-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 730148) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID730148
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCCc2ccccc21
InChIInChI=1S/C17H16BrNO2/c18-14-7-9-15(10-8-14)21-12-17(20)19-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,3,5,11-12H2
InChIKeyUAVQRADFOYBUSN-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde
CID 7820189
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
CID 21368049
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 730148) is 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21.
What is the InChIKey of 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is UAVQRADFOYBUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c18-14-7-9-15(10-8-14)21-12-17(20)19-11-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-10H,3,5,11-12H2.
What are the key properties of 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 346.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 730148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).