3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione

C17H19N3O5 — CID 15314614

IUPAC3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(/N=C/N3CCOCC3)C(=O)NC2=O)cc1OC
InChIInChI=1S/C17H19N3O5/c1-23-12-4-3-11(9-13(12)24-2)14-15(17(22)19-16(14)21)18-10-20-5-7-25-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21,22)/b18-10+
InChIKeyCEOOKOPREGIIIE-VCHYOVAHSA-N
MW345.36 g/mol
LogP0.43
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione (PubChem CID 15314614) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione
PubChem CID15314614
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(/N=C/N3CCOCC3)C(=O)NC2=O)cc1OC
InChIInChI=1S/C17H19N3O5/c1-23-12-4-3-11(9-13(12)24-2)14-15(17(22)19-16(14)21)18-10-20-5-7-25-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21,22)/b18-10+
InChIKeyCEOOKOPREGIIIE-VCHYOVAHSA-N
XLogP0.43
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-diphenylpyrazol-5-yl]-1-morpholin-4-ylmethanimine
CID 3477339
3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110563982
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
5-(3,4-dimethoxyphenyl)-4-[[4-(3-morpholin-4-ylpropoxy)-3-phenylphenyl]diazenyl]-1,2-dihydropyrazol-3-one
CID 135686833
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984
1,2-bis(3,4-dimethoxyphenyl)-10b-hydroxy-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-one
CID 102406939
[2-(3,4-dimethoxyphenyl)-6-phenyl-3-pyridinyl]-morpholin-4-ylmethanone
CID 19005849
5-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4906451
2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303437
4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
CID 53098016
[5-bromo-3-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 19002375
(E)-1-(3,4-dimethoxyphenyl)-N-morpholin-4-ylethanimine
CID 75361321

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione (CID 15314614) is 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione is COc1ccc(C2=C(/N=C/N3CCOCC3)C(=O)NC2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione?
The InChIKey is CEOOKOPREGIIIE-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-23-12-4-3-11(9-13(12)24-2)14-15(17(22)19-16(14)21)18-10-20-5-7-25-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21,22)/b18-10+.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione has a molecular weight of 345.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethylideneamino)pyrrole-2,5-dione is sourced from PubChem (CID 15314614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).