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

C22H25N4O4+ — CID 3712402

IUPAC3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NCC[NH+]2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-29-19-9-5-4-8-18(19)26-22(28)17-7-3-2-6-16(17)20(24-26)21(27)23-10-11-25-12-14-30-15-13-25/h2-9H,10-15H2,1H3,(H,23,27)/p+1
InChIKeyNZHKMANIINFNIA-UHFFFAOYSA-O
MW409.47 g/mol
LogP0.04
Rot. Bonds6

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

3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3712402) has the molecular formula C22H25N4O4+ and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide
PubChem CID3712402
Molecular FormulaC22H25N4O4+
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NCC[NH+]2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-29-19-9-5-4-8-18(19)26-22(28)17-7-3-2-6-16(17)20(24-26)21(27)23-10-11-25-12-14-30-15-13-25/h2-9H,10-15H2,1H3,(H,23,27)/p+1
InChIKeyNZHKMANIINFNIA-UHFFFAOYSA-O
XLogP0.04
TPSA86.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-butyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 9120294
N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503216
benzyl-ethyl-[3-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium
CID 4090991
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970821
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-4-oxophthalazine-1-carboxamide
CID 3450105
methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 20970753
3-(2,4-dimethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970831
1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea
CID 8747612
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503219
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 4053675
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide (CID 3712402) is 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide is COc1ccccc1-n1nc(C(=O)NCC[NH+]2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is NZHKMANIINFNIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N4O4/c1-29-19-9-5-4-8-18(19)26-22(28)17-7-3-2-6-16(17)20(24-26)21(27)23-10-11-25-12-14-30-15-13-25/h2-9H,10-15H2,1H3,(H,23,27)/p+1.
What are the key properties of 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide?
3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3712402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).