3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

C24H24N4O2 — CID 122540257

IUPAC3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCOc1ccc(-c2ccc3nc4c(n3c2)N(c2cc(C)ccc2OC)CCC4)cn1
InChIInChI=1S/C24H24N4O2/c1-16-6-9-21(29-2)20(13-16)27-12-4-5-19-24(27)28-15-18(7-10-22(28)26-19)17-8-11-23(30-3)25-14-17/h6-11,13-15H,4-5,12H2,1-3H3
InChIKeyRRMAYOKQWQYLHR-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.81
Rot. Bonds4

About 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 122540257) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID122540257
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESCOc1ccc(-c2ccc3nc4c(n3c2)N(c2cc(C)ccc2OC)CCC4)cn1
InChIInChI=1S/C24H24N4O2/c1-16-6-9-21(29-2)20(13-16)27-12-4-5-19-24(27)28-15-18(7-10-22(28)26-19)17-8-11-23(30-3)25-14-17/h6-11,13-15H,4-5,12H2,1-3H3
InChIKeyRRMAYOKQWQYLHR-UHFFFAOYSA-N
XLogP4.81
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 122540257) is 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is COc1ccc(-c2ccc3nc4c(n3c2)N(c2cc(C)ccc2OC)CCC4)cn1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is RRMAYOKQWQYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-6-9-21(29-2)20(13-16)27-12-4-5-19-24(27)28-15-18(7-10-22(28)26-19)17-8-11-23(30-3)25-14-17/h6-11,13-15H,4-5,12H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene has a molecular weight of 400.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 122540257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).