5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one

C26H25N3O — CID 3065632

IUPAC5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one
SMILESCc1cc(C)c(/N=c2\cc3n(c(=O)n2C)CCc2c-3ccc3ccccc23)c(C)c1
InChIInChI=1S/C26H25N3O/c1-16-13-17(2)25(18(3)14-16)27-24-15-23-22-10-9-19-7-5-6-8-20(19)21(22)11-12-29(23)26(30)28(24)4/h5-10,13-15H,11-12H2,1-4H3/b27-24+
InChIKeyAFQUGACYEVJNCX-SOYKGTTHSA-N
MW395.51 g/mol
LogP4.72
Rot. Bonds1

About 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one

5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one (PubChem CID 3065632) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one.

Molecular Properties

Compound Name5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one
PubChem CID3065632
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one
SMILESCc1cc(C)c(/N=c2\cc3n(c(=O)n2C)CCc2c-3ccc3ccccc23)c(C)c1
InChIInChI=1S/C26H25N3O/c1-16-13-17(2)25(18(3)14-16)27-24-15-23-22-10-9-19-7-5-6-8-20(19)21(22)11-12-29(23)26(30)28(24)4/h5-10,13-15H,11-12H2,1-4H3/b27-24+
InChIKeyAFQUGACYEVJNCX-SOYKGTTHSA-N
XLogP4.72
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one?
The IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one (CID 3065632) is 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one.
What is the SMILES notation for 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one?
The canonical SMILES for 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one is Cc1cc(C)c(/N=c2\cc3n(c(=O)n2C)CCc2c-3ccc3ccccc23)c(C)c1.
What is the InChIKey of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one?
The InChIKey is AFQUGACYEVJNCX-SOYKGTTHSA-N. The full InChI is InChI=1S/C26H25N3O/c1-16-13-17(2)25(18(3)14-16)27-24-15-23-22-10-9-19-7-5-6-8-20(19)21(22)11-12-29(23)26(30)28(24)4/h5-10,13-15H,11-12H2,1-4H3/b27-24+.
What are the key properties of 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one?
5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one has a molecular weight of 395.51 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,4,6-trimethylphenyl)imino-5,7-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,11,13,15,17-hexaen-6-one is sourced from PubChem (CID 3065632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).