4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C14H17N3O3 — CID 91459313

IUPAC4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2cc(N3CCOCC3)ccc2C1=O
InChIInChI=1S/C14H17N3O3/c1-16-9-13(18)15-12-8-10(2-3-11(12)14(16)19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,15,18)
InChIKeySSPBSNKZNOHTOT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.55
Rot. Bonds1

About 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 91459313) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID91459313
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2cc(N3CCOCC3)ccc2C1=O
InChIInChI=1S/C14H17N3O3/c1-16-9-13(18)15-12-8-10(2-3-11(12)14(16)19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,15,18)
InChIKeySSPBSNKZNOHTOT-UHFFFAOYSA-N
XLogP0.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 91459313) is 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1CC(=O)Nc2cc(N3CCOCC3)ccc2C1=O.
What is the InChIKey of 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is SSPBSNKZNOHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16-9-13(18)15-12-8-10(2-3-11(12)14(16)19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,15,18).
What are the key properties of 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-morpholin-4-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 91459313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).