1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione

C20H19N3O4 — CID 101390089

IUPAC1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione
SMILESO=c1c(=O)n(Cc2ccccc2)c2ccccc2c(=O)n1N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-18-16-8-4-5-9-17(16)22(14-15-6-2-1-3-7-15)19(25)20(26)23(18)21-10-12-27-13-11-21/h1-9H,10-14H2
InChIKeyJHXGCQYGPFPYHU-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.54
Rot. Bonds3

About 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione

1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione (PubChem CID 101390089) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione.

Molecular Properties

Compound Name1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione
PubChem CID101390089
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione
SMILESO=c1c(=O)n(Cc2ccccc2)c2ccccc2c(=O)n1N1CCOCC1
InChIInChI=1S/C20H19N3O4/c24-18-16-8-4-5-9-17(16)22(14-15-6-2-1-3-7-15)19(25)20(26)23(18)21-10-12-27-13-11-21/h1-9H,10-14H2
InChIKeyJHXGCQYGPFPYHU-UHFFFAOYSA-N
XLogP0.54
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-(N-methylanilino)-1,4-benzodiazepine-2,3,5-trione
CID 101390090
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CID 54726736
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
1-benzyl-4-(4-methylpiperidin-1-yl)-3-nitroquinolin-2-one
CID 2936919
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
CID 54706810
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
1,3-dibenzyl-5-morpholin-4-yl-6-nitrobenzimidazol-2-one
CID 3094159

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione?
The IUPAC name of 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione (CID 101390089) is 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione.
What is the SMILES notation for 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione?
The canonical SMILES for 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione is O=c1c(=O)n(Cc2ccccc2)c2ccccc2c(=O)n1N1CCOCC1.
What is the InChIKey of 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione?
The InChIKey is JHXGCQYGPFPYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18-16-8-4-5-9-17(16)22(14-15-6-2-1-3-7-15)19(25)20(26)23(18)21-10-12-27-13-11-21/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione?
1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione has a molecular weight of 365.39 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-morpholin-4-yl-1,4-benzodiazepine-2,3,5-trione is sourced from PubChem (CID 101390089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).