methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

C14H13N3O3 — CID 10378479

IUPACmethyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SMILESCOC(=O)c1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C14H13N3O3/c1-16-7-11-12(14(19)20-2)15-8-17(11)10-6-4-3-5-9(10)13(16)18/h3-6,8H,7H2,1-2H3
InChIKeyQZZWDAILXQWHAG-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.24
Rot. Bonds1

About methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (PubChem CID 10378479) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
PubChem CID10378479
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SMILESCOC(=O)c1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C14H13N3O3/c1-16-7-11-12(14(19)20-2)15-8-17(11)10-6-4-3-5-9(10)13(16)18/h3-6,8H,7H2,1-2H3
InChIKeyQZZWDAILXQWHAG-UHFFFAOYSA-N
XLogP1.24
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
The IUPAC name of methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CID 10378479) is methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
The canonical SMILES for methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate is COC(=O)c1ncn2c1CN(C)C(=O)c1ccccc1-2.
What is the InChIKey of methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
The InChIKey is QZZWDAILXQWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-7-11-12(14(19)20-2)15-8-17(11)10-6-4-3-5-9(10)13(16)18/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate is sourced from PubChem (CID 10378479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).