3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

C22H23N3O5 — CID 110563982

IUPAC3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccncc3)C2=O)cc1OC
InChIInChI=1S/C22H23N3O5/c1-28-17-4-3-16(13-18(17)29-2)19-20(24-9-11-30-12-10-24)22(27)25(21(19)26)14-15-5-7-23-8-6-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYRCVZEHPWSCHQD-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.71
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (PubChem CID 110563982) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
PubChem CID110563982
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccncc3)C2=O)cc1OC
InChIInChI=1S/C22H23N3O5/c1-28-17-4-3-16(13-18(17)29-2)19-20(24-9-11-30-12-10-24)22(27)25(21(19)26)14-15-5-7-23-8-6-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYRCVZEHPWSCHQD-UHFFFAOYSA-N
XLogP1.71
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565691
1-benzyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546476
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110548709
3-phenyl-4-(4-phenylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110559226
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110569459
3-chloro-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2,5-dione
CID 110583714
3-chloro-4-(3,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110583682
4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572823
3-(4-benzylpiperidin-1-yl)-4-(3,4-dimethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110564136
1-[(4-chlorophenyl)methyl]-3-morpholin-4-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576392
3-(3,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidin-1-ylpyrrole-2,5-dione
CID 110563829
3-(4-methylpiperazin-1-yl)-4-(4-propoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110576552

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione (CID 110563982) is 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is COc1ccc(C2=C(N3CCOCC3)C(=O)N(Cc3ccncc3)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
The InChIKey is YRCVZEHPWSCHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-28-17-4-3-16(13-18(17)29-2)19-20(24-9-11-30-12-10-24)22(27)25(21(19)26)14-15-5-7-23-8-6-15/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione has a molecular weight of 409.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-morpholin-4-yl-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110563982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).