1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone

C15H16BrNO — CID 22165481

IUPAC1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
SMILESCC(=O)N1CCCC2=C1CCc1cc(Br)ccc12
InChIInChI=1S/C15H16BrNO/c1-10(18)17-8-2-3-14-13-6-5-12(16)9-11(13)4-7-15(14)17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKGFLWRCQNKCWFU-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.75
Rot. Bonds

About 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone

1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone (PubChem CID 22165481) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
PubChem CID22165481
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
SMILESCC(=O)N1CCCC2=C1CCc1cc(Br)ccc12
InChIInChI=1S/C15H16BrNO/c1-10(18)17-8-2-3-14-13-6-5-12(16)9-11(13)4-7-15(14)17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKGFLWRCQNKCWFU-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
CID 19833131
1-(3,8-dibromo-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
CID 71513548
5-bromo-2,3-dihydroinden-1-one
CID 161015201
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 16750376
3-(7-bromo-9,10-dihydrophenanthren-2-yl)prop-2-enoic acid
CID 54226323
1-(7-fluoro-6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 132513887
6-bromo-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 158909517
8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 93493266
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60538172
1-(6-hydroxy-7-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 14338804
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
The IUPAC name of 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone (CID 22165481) is 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
The canonical SMILES for 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone is CC(=O)N1CCCC2=C1CCc1cc(Br)ccc12.
What is the InChIKey of 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
The InChIKey is KGFLWRCQNKCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10(18)17-8-2-3-14-13-6-5-12(16)9-11(13)4-7-15(14)17/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone has a molecular weight of 306.20 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone is sourced from PubChem (CID 22165481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).