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

C19H20N2O5 — CID 118732616

IUPAC7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2
InChIInChI=1S/C19H20N2O5/c1-23-12-5-6-14-13(9-12)18(20-10-17(22)21-14)11-7-15(24-2)19(26-4)16(8-11)25-3/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeySDURETHUYNAPDG-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.51
Rot. Bonds5

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

7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 118732616) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID118732616
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2
InChIInChI=1S/C19H20N2O5/c1-23-12-5-6-14-13(9-12)18(20-10-17(22)21-14)11-7-15(24-2)19(26-4)16(8-11)25-3/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeySDURETHUYNAPDG-UHFFFAOYSA-N
XLogP2.51
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12522161
5-(3,4-dimethoxy-5-methylselanylphenyl)-9-hydroxy-8-methoxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 155512471
8,9-dimethoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
CID 118732623
7,8-dimethoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
CID 118732622
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-(5-methoxy-2-oxo-1H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3791431
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703
3-(7-bromo-6,8-dimethoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile
CID 10431083
5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 118732616) is 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is COc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2.
What is the InChIKey of 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is SDURETHUYNAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-23-12-5-6-14-13(9-12)18(20-10-17(22)21-14)11-7-15(24-2)19(26-4)16(8-11)25-3/h5-9H,10H2,1-4H3,(H,21,22).
What are the key properties of 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 356.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118732616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).