8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine

C9H12BrN3O — CID 175872015

IUPAC8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine
SMILESCN1CC(N)COc2cc(Br)cnc21
InChIInChI=1S/C9H12BrN3O/c1-13-4-7(11)5-14-8-2-6(10)3-12-9(8)13/h2-3,7H,4-5,11H2,1H3
InChIKeyPJFMBRFRVVDBJV-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.00
Rot. Bonds

About 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine

8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine (PubChem CID 175872015) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine.

Molecular Properties

Compound Name8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine
PubChem CID175872015
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine
SMILESCN1CC(N)COc2cc(Br)cnc21
InChIInChI=1S/C9H12BrN3O/c1-13-4-7(11)5-14-8-2-6(10)3-12-9(8)13/h2-3,7H,4-5,11H2,1H3
InChIKeyPJFMBRFRVVDBJV-UHFFFAOYSA-N
XLogP1.00
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
CID 166773075
(10R)-5-bromo-12-propan-2-yl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167172630
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
tert-butyl 5-bromo-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-12-carboxylate
CID 167242384
4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
CID 168699602
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
(10S)-5,12-dimethyl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167192471
1-(5-bromo-3-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 103582851
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
[5-bromo-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methanamine
CID 104960830
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
CID 103584239

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine?
The IUPAC name of 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine (CID 175872015) is 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine.
What is the SMILES notation for 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine?
The canonical SMILES for 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine is CN1CC(N)COc2cc(Br)cnc21.
What is the InChIKey of 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine?
The InChIKey is PJFMBRFRVVDBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-13-4-7(11)5-14-8-2-6(10)3-12-9(8)13/h2-3,7H,4-5,11H2,1H3.
What are the key properties of 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine?
8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine has a molecular weight of 258.12 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-3-amine is sourced from PubChem (CID 175872015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).