5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one

C10H9Br2NO — CID 117209554

IUPAC5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(Br)c2Br
InChIInChI=1S/C10H9Br2NO/c1-13-8-4-3-7(11)10(12)6(8)2-5-9(13)14/h3-4H,2,5H2,1H3
InChIKeySJLSNDQIQLLLNV-UHFFFAOYSA-N
MW319.00 g/mol
LogP3.12
Rot. Bonds

About 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one

5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117209554) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117209554
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC Name5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(Br)c2Br
InChIInChI=1S/C10H9Br2NO/c1-13-8-4-3-7(11)10(12)6(8)2-5-9(13)14/h3-4H,2,5H2,1H3
InChIKeySJLSNDQIQLLLNV-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dibromo-1-methyl-3H-indol-2-one
CID 117209434
5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 22413807
1-methyl-5-propan-2-yl-3,4-dihydroquinolin-2-one
CID 134506749
6-amino-1-methyl-5-(trifluoromethyl)-3,4-dihydroquinolin-2-one
CID 117209532
1-methyl-2-oxo-5-(trifluoromethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 117209566
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63796681
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
3-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)propanal
CID 59648425
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
5-(isocyanatomethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117307973
6-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one (CID 117209554) is 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c1ccc(Br)c2Br.
What is the InChIKey of 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is SJLSNDQIQLLLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO/c1-13-8-4-3-7(11)10(12)6(8)2-5-9(13)14/h3-4H,2,5H2,1H3.
What are the key properties of 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one?
5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 319.00 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117209554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).