3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide

C22H24N4O3 — CID 55814512

IUPAC3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2cccc(CN3CCOCC3)c2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-25-22(28)19-8-3-2-7-18(19)20(24-25)21(27)23-14-16-5-4-6-17(13-16)15-26-9-11-29-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyPPUZTEBPJWWMJK-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.70
Rot. Bonds5

About 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide

3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide (PubChem CID 55814512) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
PubChem CID55814512
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)NCc2cccc(CN3CCOCC3)c2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-25-22(28)19-8-3-2-7-18(19)20(24-25)21(27)23-14-16-5-4-6-17(13-16)15-26-9-11-29-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)
InChIKeyPPUZTEBPJWWMJK-UHFFFAOYSA-N
XLogP1.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
CID 91653338
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55705156
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78802659
3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide
CID 78868539

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide (CID 55814512) is 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)NCc2cccc(CN3CCOCC3)c2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is PPUZTEBPJWWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-22(28)19-8-3-2-7-18(19)20(24-25)21(27)23-14-16-5-4-6-17(13-16)15-26-9-11-29-12-10-26/h2-8,13H,9-12,14-15H2,1H3,(H,23,27).
What are the key properties of 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide?
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55814512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).