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

C19H20N2O5 — CID 118732615

IUPAC8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-23-12-5-6-13-14(9-12)21-17(22)10-20-18(13)11-7-15(24-2)19(26-4)16(8-11)25-3/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyJAJKMVMCPBFTPX-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.51
Rot. Bonds5

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

8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 118732615) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID118732615
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20N2O5/c1-23-12-5-6-13-14(9-12)21-17(22)10-20-18(13)11-7-15(24-2)19(26-4)16(8-11)25-3/h5-9H,10H2,1-4H3,(H,21,22)
InChIKeyJAJKMVMCPBFTPX-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

7,8-diethoxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 9858430
7,8-diethoxy-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 10290924
1-(3,5-Dimethoxy-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 10252890
7-Methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732616
8,9-Dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732618
9-(3,4,5-Trimethoxyphenyl)-5,7-dihydro-[1,3]dioxolo[4,5-h][1,4]benzodiazepin-6-one
CID 118732619
8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
CID 118732620
7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
CID 118732621
9-Hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732625
7-Hydroxy-8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118732627
2-amino-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide;hydrochloride
CID 127025062
(2S)-2-amino-3-hydroxy-N-[5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CID 127027420

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 118732615) is 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is COc1ccc2c(c1)NC(=O)CN=C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is JAJKMVMCPBFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-23-12-5-6-13-14(9-12)21-17(22)10-20-18(13)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 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
8-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 8-methoxy-5-(3,4,5-trimethoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118732615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).