N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C23H24N4O5 — CID 39377793

IUPACN-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1c2c(c(NC(=O)Cn3nc(C)c4ccccc4c3=O)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C23H24N4O5/c1-13-14-6-4-5-7-16(14)23(29)27(25-13)11-18(28)24-19-15-8-9-26(2)10-17(15)20(30-3)22-21(19)31-12-32-22/h4-7H,8-12H2,1-3H3,(H,24,28)
InChIKeyBXUHICUBSPPAFP-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.07
Rot. Bonds4

About N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 39377793) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID39377793
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1c2c(c(NC(=O)Cn3nc(C)c4ccccc4c3=O)c3c1OCO3)CCN(C)C2
InChIInChI=1S/C23H24N4O5/c1-13-14-6-4-5-7-16(14)23(29)27(25-13)11-18(28)24-19-15-8-9-26(2)10-17(15)20(30-3)22-21(19)31-12-32-22/h4-7H,8-12H2,1-3H3,(H,24,28)
InChIKeyBXUHICUBSPPAFP-UHFFFAOYSA-N
XLogP2.07
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide with MolForge

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1458003
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 39377793) is N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is COc1c2c(c(NC(=O)Cn3nc(C)c4ccccc4c3=O)c3c1OCO3)CCN(C)C2.
What is the InChIKey of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is BXUHICUBSPPAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-13-14-6-4-5-7-16(14)23(29)27(25-13)11-18(28)24-19-15-8-9-26(2)10-17(15)20(30-3)22-21(19)31-12-32-22/h4-7H,8-12H2,1-3H3,(H,24,28).
What are the key properties of N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 436.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 39377793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).