A1AW5

6-bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one

Created:	2024-07-10
Last modified:	2025-03-26

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1 entries where A1AW5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of A1AW5

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Chemical Component Summary
Name	6-bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	6-bromanyl-1-methyl-3,4-dihydroquinolin-2-one
Formula	C₁₀ H₁₀ Br N O
Molecular Weight	240.096
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc2c(CCC(=O)N2C)c1
SMILES	CACTVS	3.385	CN1C(=O)CCc2cc(Br)ccc12
SMILES	OpenEye OEToolkits	2.0.7	CN1c2ccc(cc2CCC1=O)Br
Canonical SMILES	CACTVS	3.385	CN1C(=O)CCc2cc(Br)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1c2ccc(cc2CCC1=O)Br
InChI	InChI	1.06	InChI=1S/C10H10BrNO/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3
InChIKey	InChI	1.06	NJZZUBLIVYKUJM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	63106141

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