N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide

C24H26N4O5 — CID 20884847

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
SMILESCCc1nn(CC(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc3c(OC)cccc3n12
InChIInChI=1S/C24H26N4O5/c1-5-22-26-27(14-23(29)25-13-15-9-10-20(32-3)21(11-15)33-4)24(30)18-12-16-17(28(18)22)7-6-8-19(16)31-2/h6-12H,5,13-14H2,1-4H3,(H,25,29)
InChIKeyPCXWLTGALHYVTP-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.55
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide (PubChem CID 20884847) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
PubChem CID20884847
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
SMILESCCc1nn(CC(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc3c(OC)cccc3n12
InChIInChI=1S/C24H26N4O5/c1-5-22-26-27(14-23(29)25-13-15-9-10-20(32-3)21(11-15)33-4)24(30)18-12-16-17(28(18)22)7-6-8-19(16)31-2/h6-12H,5,13-14H2,1-4H3,(H,25,29)
InChIKeyPCXWLTGALHYVTP-UHFFFAOYSA-N
XLogP2.55
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-propylacetamide
CID 20884826
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 20884842
2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20884837
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20887364
2-(4,12-diethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 20884573
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 20885004
2-(12-ethyl-9-oxo-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 16669942
2-(9-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 20884760
N-[(4-chlorophenyl)methyl]-2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884297
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46684237
2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 20893856
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55932224

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide (CID 20884847) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide is CCc1nn(CC(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc3c(OC)cccc3n12.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
The InChIKey is PCXWLTGALHYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-5-22-26-27(14-23(29)25-13-15-9-10-20(32-3)21(11-15)33-4)24(30)18-12-16-17(28(18)22)7-6-8-19(16)31-2/h6-12H,5,13-14H2,1-4H3,(H,25,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide has a molecular weight of 450.50 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-9-methoxy-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide is sourced from PubChem (CID 20884847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).