3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide

C22H24N4O4 — CID 4053675

IUPAC3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-29-17-8-6-16(7-9-17)26-22(28)19-5-3-2-4-18(19)20(24-26)21(27)23-10-11-25-12-14-30-15-13-25/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyUNSOSDRFSLECHP-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.46
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide

3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide (PubChem CID 4053675) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
PubChem CID4053675
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-29-17-8-6-16(7-9-17)26-22(28)19-5-3-2-4-18(19)20(24-26)21(27)23-10-11-25-12-14-30-15-13-25/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyUNSOSDRFSLECHP-UHFFFAOYSA-N
XLogP1.46
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970842
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 44773550
3-(2,4-dimethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970831
3-(4-ethoxyphenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 20970826
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42755351
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4229933
2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
CID 4249553
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604
methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate
CID 4249551
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide (CID 4053675) is 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is UNSOSDRFSLECHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-29-17-8-6-16(7-9-17)26-22(28)19-5-3-2-4-18(19)20(24-26)21(27)23-10-11-25-12-14-30-15-13-25/h2-9H,10-15H2,1H3,(H,23,27).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4053675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).