(4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone

C24H25N3O3 — CID 131673242

IUPAC(4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3CCn4c(-c5cccc(OC)c5)cnc4C3C2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-19-8-6-16(7-9-19)24(28)26-14-18-10-11-27-22(13-25-23(27)21(18)15-26)17-4-3-5-20(12-17)30-2/h3-9,12-13,18,21H,10-11,14-15H2,1-2H3
InChIKeyJKVXIARMYWHLOX-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.83
Rot. Bonds4

About (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone

(4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone (PubChem CID 131673242) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone
PubChem CID131673242
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone
SMILESCOc1ccc(C(=O)N2CC3CCn4c(-c5cccc(OC)c5)cnc4C3C2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-19-8-6-16(7-9-19)24(28)26-14-18-10-11-27-22(13-25-23(27)21(18)15-26)17-4-3-5-20(12-17)30-2/h3-9,12-13,18,21H,10-11,14-15H2,1-2H3
InChIKeyJKVXIARMYWHLOX-UHFFFAOYSA-N
XLogP3.83
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone (CID 131673242) is (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone is COc1ccc(C(=O)N2CC3CCn4c(-c5cccc(OC)c5)cnc4C3C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone?
The InChIKey is JKVXIARMYWHLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-19-8-6-16(7-9-19)24(28)26-14-18-10-11-27-22(13-25-23(27)21(18)15-26)17-4-3-5-20(12-17)30-2/h3-9,12-13,18,21H,10-11,14-15H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone?
(4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[5-(3-methoxyphenyl)-3,6,11-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-11-yl]methanone is sourced from PubChem (CID 131673242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).