1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione

C13H16N2O3 — CID 68674815

IUPAC1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
SMILESCCN1C(=O)CC(=O)N(C)c2cc(OC)ccc21
InChIInChI=1S/C13H16N2O3/c1-4-15-10-6-5-9(18-3)7-11(10)14(2)12(16)8-13(15)17/h5-7H,4,8H2,1-3H3
InChIKeyYCDOOUPPAJXDHE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.41
Rot. Bonds2

About 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione

1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione (PubChem CID 68674815) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
PubChem CID68674815
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione
SMILESCCN1C(=O)CC(=O)N(C)c2cc(OC)ccc21
InChIInChI=1S/C13H16N2O3/c1-4-15-10-6-5-9(18-3)7-11(10)14(2)12(16)8-13(15)17/h5-7H,4,8H2,1-3H3
InChIKeyYCDOOUPPAJXDHE-UHFFFAOYSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one
CID 143691653
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429
1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
CID 12864692
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
N-[2-(5-methoxy-2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 20608252
7-methoxy-10-(methoxymethyl)-5-methylpyrazino[2,3-b]quinoxaline
CID 23564974
N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 41342478
5-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1-methyl-3H-indol-2-one
CID 24602697
1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione
CID 167474355

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione (CID 68674815) is 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione is CCN1C(=O)CC(=O)N(C)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione?
The InChIKey is YCDOOUPPAJXDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-15-10-6-5-9(18-3)7-11(10)14(2)12(16)8-13(15)17/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione?
1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-5-methyl-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 68674815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).