7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one

C11H11BrN2O2 — CID 102353279

IUPAC7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one
SMILESCOC1=Nc2ccc(Br)cc2C(=O)N(C)C1
InChIInChI=1S/C11H11BrN2O2/c1-14-6-10(16-2)13-9-4-3-7(12)5-8(9)11(14)15/h3-5H,6H2,1-2H3
InChIKeyGUYVYKZZENKJSD-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.21
Rot. Bonds

About 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one

7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one (PubChem CID 102353279) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one
PubChem CID102353279
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one
SMILESCOC1=Nc2ccc(Br)cc2C(=O)N(C)C1
InChIInChI=1S/C11H11BrN2O2/c1-14-6-10(16-2)13-9-4-3-7(12)5-8(9)11(14)15/h3-5H,6H2,1-2H3
InChIKeyGUYVYKZZENKJSD-UHFFFAOYSA-N
XLogP2.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-7-fluoro-4-methyl-3H-1,4-benzodiazepin-5-one
CID 10857165
2-methoxy-4-phenyl-3H-1,4-benzodiazepin-5-one
CID 15019683
4-bromo-2-methyl-3H-isoindol-1-one;6-bromo-2-methyl-3H-isoindol-1-one;ethane
CID 142597111
ethyl 8-bromo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10737466
6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 102538194
2-benzyl-6-bromo-3H-quinolin-4-one
CID 69363755
7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853391
5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 59276302
8-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853392
6-methyl-7H-pyrrolo[3,4-c]pyridazin-5-one
CID 139360753
(5-bromo-1,3-dioxoisoindol-2-yl) acetate
CID 177183657
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one?
The IUPAC name of 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one (CID 102353279) is 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one.
What is the SMILES notation for 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one?
The canonical SMILES for 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one is COC1=Nc2ccc(Br)cc2C(=O)N(C)C1.
What is the InChIKey of 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one?
The InChIKey is GUYVYKZZENKJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-14-6-10(16-2)13-9-4-3-7(12)5-8(9)11(14)15/h3-5H,6H2,1-2H3.
What are the key properties of 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one?
7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one has a molecular weight of 283.12 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methoxy-4-methyl-3H-1,4-benzodiazepin-5-one is sourced from PubChem (CID 102353279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).