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

C20H22N2O5 — CID 118732620

IUPAC8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)CN=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-22-15-10-13(24-2)6-7-14(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
InChIKeyGIBZAVABPREENM-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.53
Rot. Bonds5

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

8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one (PubChem CID 118732620) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
PubChem CID118732620
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)CN=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-22-15-10-13(24-2)6-7-14(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
InChIKeyGIBZAVABPREENM-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 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one (CID 118732620) is 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one is COc1ccc2c(c1)N(C)C(=O)CN=C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
The InChIKey is GIBZAVABPREENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22-15-10-13(24-2)6-7-14(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 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one?
8-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 8-methoxy-1-methyl-5-(3,4,5-trimethoxyphenyl)-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118732620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).