17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene

C22H26N2O — CID 16665071

IUPAC17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene
SMILESCOc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1
InChIInChI=1S/C22H26N2O/c1-23-12-10-16-6-4-5-7-17(16)14-22-19(11-13-23)20-15-18(25-3)8-9-21(20)24(22)2/h4-9,15H,10-14H2,1-3H3
InChIKeyPZOVIFGFKIPBAC-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.81
Rot. Bonds1

About 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene

17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene (PubChem CID 16665071) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene.

Molecular Properties

Compound Name17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene
PubChem CID16665071
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene
SMILESCOc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1
InChIInChI=1S/C22H26N2O/c1-23-12-10-16-6-4-5-7-17(16)14-22-19(11-13-23)20-15-18(25-3)8-9-21(20)24(22)2/h4-9,15H,10-14H2,1-3H3
InChIKeyPZOVIFGFKIPBAC-UHFFFAOYSA-N
XLogP3.81
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene?
The IUPAC name of 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene (CID 16665071) is 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene.
What is the SMILES notation for 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene?
The canonical SMILES for 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene is COc1ccc2c(c1)c1c(n2C)Cc2ccccc2CCN(C)CC1.
What is the InChIKey of 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene?
The InChIKey is PZOVIFGFKIPBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23-12-10-16-6-4-5-7-17(16)14-22-19(11-13-23)20-15-18(25-3)8-9-21(20)24(22)2/h4-9,15H,10-14H2,1-3H3.
What are the key properties of 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene?
17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene has a molecular weight of 334.46 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene is sourced from PubChem (CID 16665071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).