N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

C21H22N2O6 — CID 22422505

IUPACN-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c(OC)c1
InChIInChI=1S/C21H22N2O6/c1-23-11-15(13-9-18(28-4)19(29-5)10-14(13)21(23)25)20(24)22-16-7-6-12(26-2)8-17(16)27-3/h6-11H,1-5H3,(H,22,24)
InChIKeyIYPVCPZDATYVOL-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.83
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22422505) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22422505
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC NameN-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c(OC)c1
InChIInChI=1S/C21H22N2O6/c1-23-11-15(13-9-18(28-4)19(29-5)10-14(13)21(23)25)20(24)22-16-7-6-12(26-2)8-17(16)27-3/h6-11H,1-5H3,(H,22,24)
InChIKeyIYPVCPZDATYVOL-UHFFFAOYSA-N
XLogP2.83
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 22422505) is N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is COc1ccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is IYPVCPZDATYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-23-11-15(13-9-18(28-4)19(29-5)10-14(13)21(23)25)20(24)22-16-7-6-12(26-2)8-17(16)27-3/h6-11H,1-5H3,(H,22,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22422505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).