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

C17H16BrNO — CID 100699588

IUPAC2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H16BrNO/c18-15-8-3-5-13(11-15)12-17(20)19-10-4-7-14-6-1-2-9-16(14)19/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyKXMDKFYOCAFEET-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.97
Rot. Bonds2

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

2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 100699588) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID100699588
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H16BrNO/c18-15-8-3-5-13(11-15)12-17(20)19-10-4-7-14-6-1-2-9-16(14)19/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyKXMDKFYOCAFEET-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 112996350
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 7808503
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3,3-trimethylindol-2-one
CID 110771046
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 100699588) is 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(Cc1cccc(Br)c1)N1CCCc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is KXMDKFYOCAFEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-15-8-3-5-13(11-15)12-17(20)19-10-4-7-14-6-1-2-9-16(14)19/h1-3,5-6,8-9,11H,4,7,10,12H2.
What are the key properties of 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 330.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 100699588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).