3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide

C22H19N3O3 — CID 2999721

IUPAC3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
SMILESO=C(NCCc1ccco1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H19N3O3/c26-21(23-13-12-17-9-6-14-28-17)20-18-10-4-5-11-19(18)22(27)25(24-20)15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,23,26)
InChIKeyABVZLUVYUWOGNX-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.01
Rot. Bonds6

About 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide

3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 2999721) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
PubChem CID2999721
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide
SMILESO=C(NCCc1ccco1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C22H19N3O3/c26-21(23-13-12-17-9-6-14-28-17)20-18-10-4-5-11-19(18)22(27)25(24-20)15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,23,26)
InChIKeyABVZLUVYUWOGNX-UHFFFAOYSA-N
XLogP3.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide (CID 2999721) is 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide is O=C(NCCc1ccco1)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is ABVZLUVYUWOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21(23-13-12-17-9-6-14-28-17)20-18-10-4-5-11-19(18)22(27)25(24-20)15-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2,(H,23,26).
What are the key properties of 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide?
3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(furan-2-yl)ethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2999721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).