3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide

C24H28N4O2 — CID 43064928

IUPAC3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
SMILESCCC(CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCCC1
InChIInChI=1S/C24H28N4O2/c1-2-19(27-14-8-9-15-27)16-25-23(29)22-20-12-6-7-13-21(20)24(30)28(26-22)17-18-10-4-3-5-11-18/h3-7,10-13,19H,2,8-9,14-17H2,1H3,(H,25,29)
InChIKeyRCOAAFJSWHBZAW-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.05
Rot. Bonds7

About 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide

3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide (PubChem CID 43064928) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
PubChem CID43064928
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
SMILESCCC(CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCCC1
InChIInChI=1S/C24H28N4O2/c1-2-19(27-14-8-9-15-27)16-25-23(29)22-20-12-6-7-13-21(20)24(30)28(26-22)17-18-10-4-3-5-11-18/h3-7,10-13,19H,2,8-9,14-17H2,1H3,(H,25,29)
InChIKeyRCOAAFJSWHBZAW-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxophthalazine-1-carboxamide
CID 41094898
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxophthalazine-1-carboxamide
CID 31085409
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441
3-benzyl-4-oxo-N-[3-oxo-3-(propylamino)propyl]phthalazine-1-carboxamide
CID 55954463
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-benzyl-N-[4-(2-methylpiperidin-1-yl)butyl]-4-oxophthalazine-1-carboxamide
CID 55725176
N,3-dibenzyl-N-ethyl-4-oxophthalazine-1-carboxamide
CID 9098536
3-benzyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 9051599
3-benzyl-4-oxo-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]phthalazine-1-carboxamide
CID 86960960
3-benzyl-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 41261547

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide (CID 43064928) is 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide is CCC(CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCCC1.
What is the InChIKey of 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide?
The InChIKey is RCOAAFJSWHBZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-19(27-14-8-9-15-27)16-25-23(29)22-20-12-6-7-13-21(20)24(30)28(26-22)17-18-10-4-3-5-11-18/h3-7,10-13,19H,2,8-9,14-17H2,1H3,(H,25,29).
What are the key properties of 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide?
3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide is sourced from PubChem (CID 43064928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).