6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one

C13H14BrNO — CID 170498191

IUPAC6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C=CCCBr)ccc2N1
InChIInChI=1S/C13H14BrNO/c14-8-2-1-3-10-4-6-12-11(9-10)5-7-13(16)15-12/h1,3-4,6,9H,2,5,7-8H2,(H,15,16)
InChIKeyRJCYEJOBRHQRST-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.37
Rot. Bonds3

About 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one

6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 170498191) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID170498191
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C=CCCBr)ccc2N1
InChIInChI=1S/C13H14BrNO/c14-8-2-1-3-10-4-6-12-11(9-10)5-7-13(16)15-12/h1,3-4,6,9H,2,5,7-8H2,(H,15,16)
InChIKeyRJCYEJOBRHQRST-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one 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

6-(3-hydroxyprop-1-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 169453981
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-naphthalen-2-one
CID 170498148
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 54568797
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120862
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
(E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pent-2-enoic acid
CID 116865917
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
CID 40889588
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one (CID 170498191) is 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C=CCCBr)ccc2N1.
What is the InChIKey of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RJCYEJOBRHQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-8-2-1-3-10-4-6-12-11(9-10)5-7-13(16)15-12/h1,3-4,6,9H,2,5,7-8H2,(H,15,16).
What are the key properties of 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one?
6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 280.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromobut-1-enyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 170498191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).