4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C24H23N3O2 — CID 4005704

IUPAC4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCOc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccc(C)o5)cc4c3c2C)cc1
InChIInChI=1S/C24H23N3O2/c1-14-6-11-22(29-14)18-12-21-24-17(4)27(19-7-9-20(28-5)10-8-19)16(3)23(24)15(2)25-26(21)13-18/h6-13H,1-5H3
InChIKeyBZBIBBRGOIWNTO-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.78
Rot. Bonds3

About 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 4005704) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID4005704
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCOc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccc(C)o5)cc4c3c2C)cc1
InChIInChI=1S/C24H23N3O2/c1-14-6-11-22(29-14)18-12-21-24-17(4)27(19-7-9-20(28-5)10-8-19)16(3)23(24)15(2)25-26(21)13-18/h6-13H,1-5H3
InChIKeyBZBIBBRGOIWNTO-UHFFFAOYSA-N
XLogP5.78
TPSA44.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 4005704) is 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is COc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccc(C)o5)cc4c3c2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is BZBIBBRGOIWNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-14-6-11-22(29-14)18-12-21-24-17(4)27(19-7-9-20(28-5)10-8-19)16(3)23(24)15(2)25-26(21)13-18/h6-13H,1-5H3.
What are the key properties of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 385.47 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 4005704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).