10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene

C23H23ClN2O3 — CID 110065069

IUPAC10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
SMILESClc1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1
InChIInChI=1S/C23H23ClN2O3/c24-20-9-7-18(8-10-20)16-26-12-13-27-14-15-28-21-5-1-2-6-22(21)29-23-19(17-26)4-3-11-25-23/h1-11H,12-17H2
InChIKeyGMYPYBPWBKSEHW-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.94
Rot. Bonds2

About 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene

10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene (PubChem CID 110065069) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene.

Molecular Properties

Compound Name10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
PubChem CID110065069
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
SMILESClc1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1
InChIInChI=1S/C23H23ClN2O3/c24-20-9-7-18(8-10-20)16-26-12-13-27-14-15-28-21-5-1-2-6-22(21)29-23-19(17-26)4-3-11-25-23/h1-11H,12-17H2
InChIKeyGMYPYBPWBKSEHW-UHFFFAOYSA-N
XLogP4.94
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The IUPAC name of 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene (CID 110065069) is 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene.
What is the SMILES notation for 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The canonical SMILES for 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene is Clc1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1.
What is the InChIKey of 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The InChIKey is GMYPYBPWBKSEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c24-20-9-7-18(8-10-20)16-26-12-13-27-14-15-28-21-5-1-2-6-22(21)29-23-19(17-26)4-3-11-25-23/h1-11H,12-17H2.
What are the key properties of 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene has a molecular weight of 410.90 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-chlorophenyl)methyl]-2,13,16-trioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene is sourced from PubChem (CID 110065069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).