3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide

C20H21N3O2 — CID 8778606

IUPAC3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-3-22(4-2)20(25)18-16-12-8-9-13-17(16)19(24)23(21-18)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
InChIKeyWBARMPDEFHPSDI-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.93
Rot. Bonds5

About 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide

3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide (PubChem CID 8778606) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide
PubChem CID8778606
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-3-22(4-2)20(25)18-16-12-8-9-13-17(16)19(24)23(21-18)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
InChIKeyWBARMPDEFHPSDI-UHFFFAOYSA-N
XLogP2.93
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-N,N-diethyl-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

Related Compounds

(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
2-Methylphthalazin-1-one
CID 313378
1(2H)-Phthalazinone, 4-(p-chlorobenzyl)-2-(2-(dimethylamino)ethyl)-, hydrochloride
CID 203096
(4-Benzyl-1-oxophthalazin-2(1H)-yl)acetic acid
CID 646907
2-(4-Methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetic acid
CID 819380
Talastine
CID 65624
2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazin-3(2H)-one
CID 2052803
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-({3-[(4-Acetyl-1,4-diazepan-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25132610
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-({4-Fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133631
4-({3-[(4-Ethylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133632

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide (CID 8778606) is 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide is CCN(CC)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is WBARMPDEFHPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-22(4-2)20(25)18-16-12-8-9-13-17(16)19(24)23(21-18)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide?
3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 8778606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).