2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

C22H22N4O3 — CID 655294

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H22N4O3/c1-15-18-6-2-3-7-19(18)22(29)26(24-15)14-20(27)23-17-10-8-16(9-11-17)21(28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,27)
InChIKeyPBQBTLUOIIPJRW-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 655294) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID655294
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H22N4O3/c1-15-18-6-2-3-7-19(18)22(29)26(24-15)14-20(27)23-17-10-8-16(9-11-17)21(28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,27)
InChIKeyPBQBTLUOIIPJRW-UHFFFAOYSA-N
XLogP2.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 655294) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1nn(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PBQBTLUOIIPJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-18-6-2-3-7-19(18)22(29)26(24-15)14-20(27)23-17-10-8-16(9-11-17)21(28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,27).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 655294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).