6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C18H22BrN3O — CID 133364331

IUPAC6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCc1nc2ccc(Br)cc2c(N2CC3OCCN(C)C3C2)c1C
InChIInChI=1S/C18H22BrN3O/c1-11-12(2)20-15-5-4-13(19)8-14(15)18(11)22-9-16-17(10-22)23-7-6-21(16)3/h4-5,8,16-17H,6-7,9-10H2,1-3H3
InChIKeyXHUVYFQNNIASBI-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.13
Rot. Bonds1

About 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 133364331) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID133364331
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCc1nc2ccc(Br)cc2c(N2CC3OCCN(C)C3C2)c1C
InChIInChI=1S/C18H22BrN3O/c1-11-12(2)20-15-5-4-13(19)8-14(15)18(11)22-9-16-17(10-22)23-7-6-21(16)3/h4-5,8,16-17H,6-7,9-10H2,1-3H3
InChIKeyXHUVYFQNNIASBI-UHFFFAOYSA-N
XLogP3.13
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine with MolForge

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Related Compounds

1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol
CID 133446513
6-(5-bromo-2-pyridinyl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364559
[(4aS)-6-(6-bromo-3-chloroquinolin-4-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]phosphane
CID 139341153
(4aS,7aR)-4-methyl-6-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97250138
[(2S)-4-(6-fluoro-2,3-dimethylquinolin-4-yl)morpholin-2-yl]methanol
CID 97309123
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
(4aS)-4-methyl-6-(1H-pyrazol-5-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 126655644
6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 84599400
4-methyl-6-(5-methylquinazolin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133364512
6-(1-benzylpyrazol-3-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 145270813
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 127470154
4-(2,3-dimethylquinolin-4-yl)-2-(5-methylfuran-2-yl)morpholine
CID 133451752

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 133364331) is 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is Cc1nc2ccc(Br)cc2c(N2CC3OCCN(C)C3C2)c1C.
What is the InChIKey of 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is XHUVYFQNNIASBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-11-12(2)20-15-5-4-13(19)8-14(15)18(11)22-9-16-17(10-22)23-7-6-21(16)3/h4-5,8,16-17H,6-7,9-10H2,1-3H3.
What are the key properties of 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 376.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 133364331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).