8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C16H14N2O4 — CID 175472893

IUPAC8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1cc2c(cc1O)NC(=O)CN(c1ccccc1)C2=O
InChIInChI=1S/C16H14N2O4/c1-22-14-7-11-12(8-13(14)19)17-15(20)9-18(16(11)21)10-5-3-2-4-6-10/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyUUPQKWATFLTNJH-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.00
Rot. Bonds2

About 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 175472893) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID175472893
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1cc2c(cc1O)NC(=O)CN(c1ccccc1)C2=O
InChIInChI=1S/C16H14N2O4/c1-22-14-7-11-12(8-13(14)19)17-15(20)9-18(16(11)21)10-5-3-2-4-6-10/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyUUPQKWATFLTNJH-UHFFFAOYSA-N
XLogP2.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 175472893) is 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is COc1cc2c(cc1O)NC(=O)CN(c1ccccc1)C2=O.
What is the InChIKey of 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is UUPQKWATFLTNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-14-7-11-12(8-13(14)19)17-15(20)9-18(16(11)21)10-5-3-2-4-6-10/h2-8,19H,9H2,1H3,(H,17,20).
What are the key properties of 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 298.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-methoxy-4-phenyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 175472893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).