N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C22H22N4O4 — CID 55657207

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1N1CCCC1=O
InChIInChI=1S/C22H22N4O4/c1-25-22(29)16-7-4-3-6-15(16)17(24-25)13-20(27)23-14-9-10-19(30-2)18(12-14)26-11-5-8-21(26)28/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,23,27)
InChIKeyLCMTXZXYGXYQEP-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.25
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55657207) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55657207
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1N1CCCC1=O
InChIInChI=1S/C22H22N4O4/c1-25-22(29)16-7-4-3-6-15(16)17(24-25)13-20(27)23-14-9-10-19(30-2)18(12-14)26-11-5-8-21(26)28/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,23,27)
InChIKeyLCMTXZXYGXYQEP-UHFFFAOYSA-N
XLogP2.25
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55692126
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 60553812
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55657207) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LCMTXZXYGXYQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-25-22(29)16-7-4-3-6-15(16)17(24-25)13-20(27)23-14-9-10-19(30-2)18(12-14)26-11-5-8-21(26)28/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,23,27).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55657207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).