2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one

C30H28N4O2 — CID 52919547

IUPAC2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one
SMILESCc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C30H28N4O2/c1-21-28(25-15-7-8-16-26(25)33(21)20-27(35)32-17-9-10-18-32)29-23-13-5-6-14-24(23)30(36)34(31-29)19-22-11-3-2-4-12-22/h2-8,11-16H,9-10,17-20H2,1H3
InChIKeyOAEAZXYOKITOSI-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.00
Rot. Bonds5

About 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one

2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one (PubChem CID 52919547) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one.

Molecular Properties

Compound Name2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one
PubChem CID52919547
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one
SMILESCc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)N1CCCC1
InChIInChI=1S/C30H28N4O2/c1-21-28(25-15-7-8-16-26(25)33(21)20-27(35)32-17-9-10-18-32)29-23-13-5-6-14-24(23)30(36)34(31-29)19-22-11-3-2-4-12-22/h2-8,11-16H,9-10,17-20H2,1H3
InChIKeyOAEAZXYOKITOSI-UHFFFAOYSA-N
XLogP5.00
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one?
The IUPAC name of 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one (CID 52919547) is 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one.
What is the SMILES notation for 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one?
The canonical SMILES for 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one is Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)N1CCCC1.
What is the InChIKey of 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one?
The InChIKey is OAEAZXYOKITOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-21-28(25-15-7-8-16-26(25)33(21)20-27(35)32-17-9-10-18-32)29-23-13-5-6-14-24(23)30(36)34(31-29)19-22-11-3-2-4-12-22/h2-8,11-16H,9-10,17-20H2,1H3.
What are the key properties of 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one?
2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one has a molecular weight of 476.58 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]phthalazin-1-one is sourced from PubChem (CID 52919547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).