N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C20H19ClN4O6 — CID 53008445

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C20H19ClN4O6/c1-24-19(27)17(23-25(20(24)28)11-5-7-12(29-2)8-6-11)18(26)22-14-9-13(21)15(30-3)10-16(14)31-4/h5-10H,1-4H3,(H,22,26)
InChIKeyKGHIFIIRPFCGIG-UHFFFAOYSA-N
MW446.85 g/mol
LogP1.86
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 53008445) has the molecular formula C20H19ClN4O6 and a molecular weight of 446.85 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID53008445
Molecular FormulaC20H19ClN4O6
Molecular Weight446.85 g/mol
Exact Mass446.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C20H19ClN4O6/c1-24-19(27)17(23-25(20(24)28)11-5-7-12(29-2)8-6-11)18(26)22-14-9-13(21)15(30-3)10-16(14)31-4/h5-10H,1-4H3,(H,22,26)
InChIKeyKGHIFIIRPFCGIG-UHFFFAOYSA-N
XLogP1.86
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.85
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 26877253
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 42057925
2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)-N,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088640
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578709
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088667
methyl 2-[[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carbonyl]amino]benzoate
CID 22578644
N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33316078
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 15993101
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 53008445) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is COc1ccc(-n2nc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is KGHIFIIRPFCGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O6/c1-24-19(27)17(23-25(20(24)28)11-5-7-12(29-2)8-6-11)18(26)22-14-9-13(21)15(30-3)10-16(14)31-4/h5-10H,1-4H3,(H,22,26).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 446.85 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 53008445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).