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

C20H22N2O5 — CID 118732621

IUPAC7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2C
InChIInChI=1S/C20H22N2O5/c1-22-15-7-6-13(24-2)10-14(15)19(21-11-18(22)23)12-8-16(25-3)20(27-5)17(9-12)26-4/h6-10H,11H2,1-5H3
InChIKeyRAQZTPGLYCRCFJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.53
Rot. Bonds5

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

7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one (PubChem CID 118732621) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
PubChem CID118732621
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2C
InChIInChI=1S/C20H22N2O5/c1-22-15-7-6-13(24-2)10-14(15)19(21-11-18(22)23)12-8-16(25-3)20(27-5)17(9-12)26-4/h6-10H,11H2,1-5H3
InChIKeyRAQZTPGLYCRCFJ-UHFFFAOYSA-N
XLogP2.53
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one (CID 118732621) is 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one is COc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2C.
What is the InChIKey of 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
The InChIKey is RAQZTPGLYCRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22-15-7-6-13(24-2)10-14(15)19(21-11-18(22)23)12-8-16(25-3)20(27-5)17(9-12)26-4/h6-10H,11H2,1-5H3.
What are the key properties of 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one has a molecular weight of 370.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118732621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).