6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one

C14H13BrN2OS — CID 116970301

IUPAC6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3csc(CBr)n3)ccc21
InChIInChI=1S/C14H13BrN2OS/c1-17-12-4-2-9(6-10(12)3-5-14(17)18)11-8-19-13(7-15)16-11/h2,4,6,8H,3,5,7H2,1H3
InChIKeyDXVVACXFNGXIBT-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.61
Rot. Bonds2

About 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one

6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116970301) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116970301
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3csc(CBr)n3)ccc21
InChIInChI=1S/C14H13BrN2OS/c1-17-12-4-2-9(6-10(12)3-5-14(17)18)11-8-19-13(7-15)16-11/h2,4,6,8H,3,5,7H2,1H3
InChIKeyDXVVACXFNGXIBT-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 166340362
5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
CID 9421508
6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 84610373
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 82306077
1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 60528907
1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 9420001
4-methyl-2-[[4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422843
2-cyclopentylidene-2-[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 9423030
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466
5-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-dimethylbenzimidazol-2-one
CID 96680068
6-(2-amino-5-methyl-1H-imidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82482606

Frequently Asked Questions

What is the IUPAC name of 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one (CID 116970301) is 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3csc(CBr)n3)ccc21.
What is the InChIKey of 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is DXVVACXFNGXIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-17-12-4-2-9(6-10(12)3-5-14(17)18)11-8-19-13(7-15)16-11/h2,4,6,8H,3,5,7H2,1H3.
What are the key properties of 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 337.24 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116970301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).