N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide

C21H22N4O3 — CID 1297595

IUPACN-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NN1CCOCC1
InChIInChI=1S/C21H22N4O3/c26-19(22-24-12-14-28-15-13-24)10-11-25-21(27)18-9-5-4-8-17(18)20(23-25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,26)
InChIKeyGMFVEKKVJSBBNB-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.82
Rot. Bonds5

About N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide

N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide (PubChem CID 1297595) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
PubChem CID1297595
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESO=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NN1CCOCC1
InChIInChI=1S/C21H22N4O3/c26-19(22-24-12-14-28-15-13-24)10-11-25-21(27)18-9-5-4-8-17(18)20(23-25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,26)
InChIKeyGMFVEKKVJSBBNB-UHFFFAOYSA-N
XLogP1.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Azd-2461
CID 44199317
4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one
CID 11726399
4-({4-Fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133631
4-({4-Fluoro-3-[(4-propanoylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133976
4-({3-[(4-Methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133630
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-({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-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25218483

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The IUPAC name of N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide (CID 1297595) is N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide.
What is the SMILES notation for N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The canonical SMILES for N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide is O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)NN1CCOCC1.
What is the InChIKey of N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The InChIKey is GMFVEKKVJSBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(22-24-12-14-28-15-13-24)10-11-25-21(27)18-9-5-4-8-17(18)20(23-25)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,22,26).
What are the key properties of N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-3-(1-oxo-4-phenylphthalazin-2-yl)propanamide is sourced from PubChem (CID 1297595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).