3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride

C9H12ClN3O2 — CID 130298996

IUPAC3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
SMILESCN1C(=O)C(N)COc2cccnc21.Cl
InChIInChI=1S/C9H11N3O2.ClH/c1-12-8-7(3-2-4-11-8)14-5-6(10)9(12)13;/h2-4,6H,5,10H2,1H3;1H
InChIKeyDNLDPHVSHAIUNI-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.19
Rot. Bonds

About 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride

3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride (PubChem CID 130298996) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
PubChem CID130298996
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
SMILESCN1C(=O)C(N)COc2cccnc21.Cl
InChIInChI=1S/C9H11N3O2.ClH/c1-12-8-7(3-2-4-11-8)14-5-6(10)9(12)13;/h2-4,6H,5,10H2,1H3;1H
InChIKeyDNLDPHVSHAIUNI-UHFFFAOYSA-N
XLogP0.19
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride with MolForge

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Related Compounds

(7R)-7-amino-10-methyl-7,8-dihydro-6H-pyrido[3,2-b][1,4]oxazocin-9-one
CID 130317243
3-amino-8-bromo-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
CID 166773075
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
CID 130314087
(3S)-3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide;ethyl 5-benzyl-1,3,4-oxadiazole-2-carboxylate;methane;hydrochloride
CID 160757177
2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 116990467
(3S)-3,7-diamino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 154698028
3-iodo-5-methylspiro[3H-pyrido[3,2-b][1,4]oxazepine-2,1'-cyclopropane]-4-one
CID 130314126
(3S)-3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;ethyl 5-(2-fluorophenoxy)pyridazine-3-carboxylate;5-(2-fluorophenoxy)-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]pyridazine-3-carboxamide;methane;hydrochloride
CID 157422072
(3S)-3-amino-8-bromo-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 135309087
2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 116990549
CID 162470235
CID 162470235
(3S)-3-amino-5-methyl-7-(2-oxo-2-pyridin-2-ylethoxy)-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 176729340

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
The IUPAC name of 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride (CID 130298996) is 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride.
What is the SMILES notation for 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
The canonical SMILES for 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride is CN1C(=O)C(N)COc2cccnc21.Cl.
What is the InChIKey of 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
The InChIKey is DNLDPHVSHAIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2.ClH/c1-12-8-7(3-2-4-11-8)14-5-6(10)9(12)13;/h2-4,6H,5,10H2,1H3;1H.
What are the key properties of 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride?
3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride has a molecular weight of 229.67 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride is sourced from PubChem (CID 130298996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).