5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one

C16H20N4O3 — CID 173278219

IUPAC5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one
SMILESCC1CN(c2nc(=NO)c(=O)n(C)c3ccccc23)CC(C)O1
InChIInChI=1S/C16H20N4O3/c1-10-8-20(9-11(2)23-10)15-12-6-4-5-7-13(12)19(3)16(21)14(17-15)18-22/h4-7,10-11,22H,8-9H2,1-3H3
InChIKeyHFHHMPAGCOVDLY-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.84
Rot. Bonds1

About 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one

5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one (PubChem CID 173278219) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one
PubChem CID173278219
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one
SMILESCC1CN(c2nc(=NO)c(=O)n(C)c3ccccc23)CC(C)O1
InChIInChI=1S/C16H20N4O3/c1-10-8-20(9-11(2)23-10)15-12-6-4-5-7-13(12)19(3)16(21)14(17-15)18-22/h4-7,10-11,22H,8-9H2,1-3H3
InChIKeyHFHHMPAGCOVDLY-UHFFFAOYSA-N
XLogP0.84
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one 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

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-3-nitroquinolin-2-one
CID 7724159
4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one
CID 12689529
(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 1181449
6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one
CID 163347986
CID 173122445
CID 173122445
3-[2-(2,6-dimethylmorpholin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 3778670
2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine
CID 19978068
2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
CID 6418527
4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 23828257
8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,7-trimethylpurine-2,6-dione
CID 941006
2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine
CID 6414356
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
CID 102987519

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one (CID 173278219) is 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one is CC1CN(c2nc(=NO)c(=O)n(C)c3ccccc23)CC(C)O1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one?
The InChIKey is HFHHMPAGCOVDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-8-20(9-11(2)23-10)15-12-6-4-5-7-13(12)19(3)16(21)14(17-15)18-22/h4-7,10-11,22H,8-9H2,1-3H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one?
5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one has a molecular weight of 316.36 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-3-hydroxyimino-1-methyl-1,4-benzodiazepin-2-one is sourced from PubChem (CID 173278219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).