12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene

C24H23N5O2 — CID 11582361

IUPAC12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3ccc(-c4ccccc4OC)cc3)n1-2
InChIInChI=1S/C24H23N5O2/c1-28-14-19-20(12-13-23(25-19)31-3)29-22(15-28)26-27-24(29)17-10-8-16(9-11-17)18-6-4-5-7-21(18)30-2/h4-13H,14-15H2,1-3H3
InChIKeyCKIKXJVAFMRYRW-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.96
Rot. Bonds4

About 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene

12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene (PubChem CID 11582361) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene.

Molecular Properties

Compound Name12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
PubChem CID11582361
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3ccc(-c4ccccc4OC)cc3)n1-2
InChIInChI=1S/C24H23N5O2/c1-28-14-19-20(12-13-23(25-19)31-3)29-22(15-28)26-27-24(29)17-10-8-16(9-11-17)18-6-4-5-7-21(18)30-2/h4-13H,14-15H2,1-3H3
InChIKeyCKIKXJVAFMRYRW-UHFFFAOYSA-N
XLogP3.96
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The IUPAC name of 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene (CID 11582361) is 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene.
What is the SMILES notation for 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The canonical SMILES for 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene is COc1ccc2c(n1)CN(C)Cc1nnc(-c3ccc(-c4ccccc4OC)cc3)n1-2.
What is the InChIKey of 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The InChIKey is CKIKXJVAFMRYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28-14-19-20(12-13-23(25-19)31-3)29-22(15-28)26-27-24(29)17-10-8-16(9-11-17)18-6-4-5-7-21(18)30-2/h4-13H,14-15H2,1-3H3.
What are the key properties of 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene has a molecular weight of 413.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-8-methyl-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene is sourced from PubChem (CID 11582361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).