6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine

C23H19N3O2 — CID 59572250

IUPAC6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2N=Nc2c1oc1ccc(C)cc21
InChIInChI=1S/C23H19N3O2/c1-14-9-11-20-16(12-14)22-23(28-20)26(19-6-4-5-7-21(19)27-3)18-10-8-15(2)13-17(18)24-25-22/h4-13H,1-3H3
InChIKeyPIDRZSZWSDSLBH-UHFFFAOYSA-N
MW369.42 g/mol
LogP7.26
Rot. Bonds2

About 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine

6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine (PubChem CID 59572250) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
PubChem CID59572250
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2N=Nc2c1oc1ccc(C)cc21
InChIInChI=1S/C23H19N3O2/c1-14-9-11-20-16(12-14)22-23(28-20)26(19-6-4-5-7-21(19)27-3)18-10-8-15(2)13-17(18)24-25-22/h4-13H,1-3H3
InChIKeyPIDRZSZWSDSLBH-UHFFFAOYSA-N
XLogP7.26
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine?
The IUPAC name of 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine (CID 59572250) is 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine?
The canonical SMILES for 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine is COc1ccccc1N1c2ccc(C)cc2N=Nc2c1oc1ccc(C)cc21.
What is the InChIKey of 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine?
The InChIKey is PIDRZSZWSDSLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-14-9-11-20-16(12-14)22-23(28-20)26(19-6-4-5-7-21(19)27-3)18-10-8-15(2)13-17(18)24-25-22/h4-13H,1-3H3.
What are the key properties of 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine?
6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine has a molecular weight of 369.42 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine is sourced from PubChem (CID 59572250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).