4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one

C26H30N4O4 — CID 146818109

IUPAC4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one
SMILES[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN2CCOCC2)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C26H30N4O4/c1-32-19-14-18(15-20(16-19)33-2)30-23(7-8-29-9-11-34-12-10-29)25(31)24(26(30)27)22-13-17-5-3-4-6-21(17)28-22/h3-6,14-16,23,27-28H,7-13H2,1-2H3/b24-22?,27-26-
InChIKeyLVKXCWKDOASZIG-FNXHQMQNSA-N
MW462.55 g/mol
LogP3.08
Rot. Bonds6

About 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one

4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one (PubChem CID 146818109) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one
PubChem CID146818109
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one
SMILES[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN2CCOCC2)N1c1cc(OC)cc(OC)c1
InChIInChI=1S/C26H30N4O4/c1-32-19-14-18(15-20(16-19)33-2)30-23(7-8-29-9-11-34-12-10-29)25(31)24(26(30)27)22-13-17-5-3-4-6-21(17)28-22/h3-6,14-16,23,27-28H,7-13H2,1-2H3/b24-22?,27-26-
InChIKeyLVKXCWKDOASZIG-FNXHQMQNSA-N
XLogP3.08
TPSA87.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-Dimethoxyphenyl)-4-(7-fluoro-1,3-dihydroindol-2-ylidene)-5-iminopyrrolidin-3-one
CID 148007894
1-(3,5-Dimethoxyphenyl)-4-(6-fluoro-1,3-dihydroindol-2-ylidene)-5-iminopyrrolidin-3-one
CID 157578518
1-(3,5-Dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one
CID 146716552
6-(1,3-Dihydroindol-2-ylidene)-4-(3,5-dimethoxyphenyl)-5-imino-4-azaspiro[2.4]heptan-7-one
CID 146724943
2-Acetyl-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-methyliminopyrrolidin-3-one
CID 146734953
N-[2-[(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methyl-3-oxopyrrolidin-2-yl]ethyl]acetamide
CID 146738038
4-(1,3-Dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methyliminopyrrolidin-3-one
CID 146756415
3-(1,3-Dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-imino-8-methyl-1,8-diazaspiro[4.5]decan-4-one
CID 146800316
4-(1,3-Dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-[(3,5-dimethoxyphenyl)methylimino]-2,2-dimethylpyrrolidin-3-one
CID 146850638
2-Acetyl-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-methyl-5-methyliminopyrrolidin-3-one
CID 146854080
2-[1-(3,5-Dimethoxyphenyl)-2-imino-4-oxopyrrolidin-3-ylidene]-1,3-dihydroindole-7-carbonitrile
CID 146889192
9-Acetyl-3-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-2-methylimino-1,9-diazaspiro[4.5]decan-4-one
CID 146949249

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one?
The IUPAC name of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one (CID 146818109) is 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one.
What is the SMILES notation for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one?
The canonical SMILES for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one is [H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)C(CCN2CCOCC2)N1c1cc(OC)cc(OC)c1.
What is the InChIKey of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one?
The InChIKey is LVKXCWKDOASZIG-FNXHQMQNSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-32-19-14-18(15-20(16-19)33-2)30-23(7-8-29-9-11-34-12-10-29)25(31)24(26(30)27)22-13-17-5-3-4-6-21(17)28-22/h3-6,14-16,23,27-28H,7-13H2,1-2H3/b24-22?,27-26-.
What are the key properties of 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one?
4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one has a molecular weight of 462.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-(2-morpholin-4-ylethyl)pyrrolidin-3-one is sourced from PubChem (CID 146818109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).