N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

C21H22N4O3 — CID 9143979

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H22N4O3/c26-20-18-8-4-3-7-17(18)19(23-24-20)21(27)22-13-15-5-1-2-6-16(15)14-25-9-11-28-12-10-25/h1-8H,9-14H2,(H,22,27)(H,24,26)
InChIKeyKSWXOQRHMYDXNI-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.69
Rot. Bonds5

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 9143979) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID9143979
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H22N4O3/c26-20-18-8-4-3-7-17(18)19(23-24-20)21(27)22-13-15-5-1-2-6-16(15)14-25-9-11-28-12-10-25/h1-8H,9-14H2,(H,22,27)(H,24,26)
InChIKeyKSWXOQRHMYDXNI-UHFFFAOYSA-N
XLogP1.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-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

Azd-2461
CID 44199317
4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one
CID 11726399
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-[(4-Fluoro-3-{[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25133629
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
4-({4-Fluoro-3-[(4-propylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133633
4-(3-(4-Acetylpiperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one
CID 25133975
4-({4-Fluoro-3-[(4-propanoylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133976
4-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25218483
4-[(3-{[4-(Morpholin-4-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132261

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 9143979) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCc1ccccc1CN1CCOCC1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is KSWXOQRHMYDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20-18-8-4-3-7-17(18)19(23-24-20)21(27)22-13-15-5-1-2-6-16(15)14-25-9-11-28-12-10-25/h1-8H,9-14H2,(H,22,27)(H,24,26).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 9143979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).