N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide

C25H24N6O4 — CID 56685435

IUPACN-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)c1
InChIInChI=1S/C25H24N6O4/c1-15-5-6-16(2)18(11-15)19-13-21-24-28-31(25(33)29(24)9-10-30(21)27-19)14-23(32)26-20-12-17(34-3)7-8-22(20)35-4/h5-13H,14H2,1-4H3,(H,26,32)
InChIKeyXBRNHVNGFDOMOA-UHFFFAOYSA-N
MW472.51 g/mol
LogP3.08
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide (PubChem CID 56685435) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
PubChem CID56685435
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)c1
InChIInChI=1S/C25H24N6O4/c1-15-5-6-16(2)18(11-15)19-13-21-24-28-31(25(33)29(24)9-10-30(21)27-19)14-23(32)26-20-12-17(34-3)7-8-22(20)35-4/h5-13H,14H2,1-4H3,(H,26,32)
InChIKeyXBRNHVNGFDOMOA-UHFFFAOYSA-N
XLogP3.08
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide with MolForge

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Related Compounds

2-[11-(4-methoxyphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]-N-(2-methylphenyl)acetamide
CID 56685481
2-[11-(4-butoxyphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]-N-(2-methoxyphenyl)acetamide
CID 53334409
N-(5-chloro-2-methylphenyl)-2-[11-(4-methylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
CID 56685282
N-(2,5-dimethoxyphenyl)-2-[6-oxo-3-(2,4,5-trimethylphenyl)pyridazin-1-yl]acetamide
CID 7672280
2-[11-(4-chlorophenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]-N-(4-methoxyphenyl)acetamide
CID 56684962
2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 95919372
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028451
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946
N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028554
2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 53020196
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
N-(2,5-dimethoxyphenyl)-2-(5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl)acetamide
CID 45498923

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide (CID 56685435) is N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2nc3c4cc(-c5cc(C)ccc5C)nn4ccn3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide?
The InChIKey is XBRNHVNGFDOMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-15-5-6-16(2)18(11-15)19-13-21-24-28-31(25(33)29(24)9-10-30(21)27-19)14-23(32)26-20-12-17(34-3)7-8-22(20)35-4/h5-13H,14H2,1-4H3,(H,26,32).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide has a molecular weight of 472.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[11-(2,5-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide is sourced from PubChem (CID 56685435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).