7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C19H20N2O6 — CID 118732627

IUPAC7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cc2c(cc1O)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2
InChIInChI=1S/C19H20N2O6/c1-24-14-8-12-11(7-13(14)22)18(20-9-17(23)21-12)10-5-15(25-2)19(27-4)16(6-10)26-3/h5-8,22H,9H2,1-4H3,(H,21,23)
InChIKeyFJIUUKUFIREQFM-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.22
Rot. Bonds5

About 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 118732627) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID118732627
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1cc2c(cc1O)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2
InChIInChI=1S/C19H20N2O6/c1-24-14-8-12-11(7-13(14)22)18(20-9-17(23)21-12)10-5-15(25-2)19(27-4)16(6-10)26-3/h5-8,22H,9H2,1-4H3,(H,21,23)
InChIKeyFJIUUKUFIREQFM-UHFFFAOYSA-N
XLogP2.22
TPSA98.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 118732627) is 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is COc1cc2c(cc1O)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2.
What is the InChIKey of 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is FJIUUKUFIREQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-24-14-8-12-11(7-13(14)22)18(20-9-17(23)21-12)10-5-15(25-2)19(27-4)16(6-10)26-3/h5-8,22H,9H2,1-4H3,(H,21,23).
What are the key properties of 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 372.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118732627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).