1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione

C26H27N3O4 — CID 18403518

IUPAC1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2cccc(OCCN3CCOCC3)c2)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C26H27N3O4/c1-27-17-21(20-8-3-4-9-22(20)27)24-23(25(30)28(2)26(24)31)18-6-5-7-19(16-18)33-15-12-29-10-13-32-14-11-29/h3-9,16-17H,10-15H2,1-2H3
InChIKeyPSEOYAJTIDRZRO-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.80
Rot. Bonds6

About 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione

1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 18403518) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione
PubChem CID18403518
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione
SMILESCN1C(=O)C(c2cccc(OCCN3CCOCC3)c2)=C(c2cn(C)c3ccccc23)C1=O
InChIInChI=1S/C26H27N3O4/c1-27-17-21(20-8-3-4-9-22(20)27)24-23(25(30)28(2)26(24)31)18-6-5-7-19(16-18)33-15-12-29-10-13-32-14-11-29/h3-9,16-17H,10-15H2,1-2H3
InChIKeyPSEOYAJTIDRZRO-UHFFFAOYSA-N
XLogP2.80
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 51002145
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CID 51002189
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367
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CID 70920966
ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
CID 68697506
6-(2-morpholin-4-ylethoxy)-3-phenyl-2-quinolin-3-ylinden-1-one
CID 51002188

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione (CID 18403518) is 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione is CN1C(=O)C(c2cccc(OCCN3CCOCC3)c2)=C(c2cn(C)c3ccccc23)C1=O.
What is the InChIKey of 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is PSEOYAJTIDRZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-27-17-21(20-8-3-4-9-22(20)27)24-23(25(30)28(2)26(24)31)18-6-5-7-19(16-18)33-15-12-29-10-13-32-14-11-29/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione?
1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 445.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 18403518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).