18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene

C24H20N2O — CID 59573518

IUPAC18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESCc1cc(C)c(N2c3cccnc3Oc3ccc4ccccc4c32)c(C)c1
InChIInChI=1S/C24H20N2O/c1-15-13-16(2)22(17(3)14-15)26-20-9-6-12-25-24(20)27-21-11-10-18-7-4-5-8-19(18)23(21)26/h4-14H,1-3H3
InChIKeyIPSQEUBIUHMFQR-UHFFFAOYSA-N
MW352.44 g/mol
LogP6.74
Rot. Bonds1

About 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene

18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 59573518) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

Compound Name18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene
PubChem CID59573518
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESCc1cc(C)c(N2c3cccnc3Oc3ccc4ccccc4c32)c(C)c1
InChIInChI=1S/C24H20N2O/c1-15-13-16(2)22(17(3)14-15)26-20-9-6-12-25-24(20)27-21-11-10-18-7-4-5-8-19(18)23(21)26/h4-14H,1-3H3
InChIKeyIPSQEUBIUHMFQR-UHFFFAOYSA-N
XLogP6.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The IUPAC name of 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 59573518) is 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene.
What is the SMILES notation for 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The canonical SMILES for 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene is Cc1cc(C)c(N2c3cccnc3Oc3ccc4ccccc4c32)c(C)c1.
What is the InChIKey of 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The InChIKey is IPSQEUBIUHMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-15-13-16(2)22(17(3)14-15)26-20-9-6-12-25-24(20)27-21-11-10-18-7-4-5-8-19(18)23(21)26/h4-14H,1-3H3.
What are the key properties of 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene?
18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 352.44 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(2,4,6-trimethylphenyl)-11-oxa-13,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 59573518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).