3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one

C23H24N2O5 — CID 24894887

IUPAC3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOCn1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)NC2)c2ccccc21
InChIInChI=1S/C23H24N2O5/c1-27-13-25-12-17(15-7-5-6-8-18(15)25)16-11-24-23(26)21(16)14-9-19(28-2)22(30-4)20(10-14)29-3/h5-10,12H,11,13H2,1-4H3,(H,24,26)
InChIKeyFXOKLOPGTMWYLS-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.31
Rot. Bonds7

About 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one

3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one (PubChem CID 24894887) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one
PubChem CID24894887
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOCn1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)NC2)c2ccccc21
InChIInChI=1S/C23H24N2O5/c1-27-13-25-12-17(15-7-5-6-8-18(15)25)16-11-24-23(26)21(16)14-9-19(28-2)22(30-4)20(10-14)29-3/h5-10,12H,11,13H2,1-4H3,(H,24,26)
InChIKeyFXOKLOPGTMWYLS-UHFFFAOYSA-N
XLogP3.31
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one with MolForge

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Related Compounds

Bpr-0L075
CID 10359957
TG4-155
CID 5886965
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10449104
(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
CID 11645570
(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 17756418
(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11291211
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
CID 71604853
(NE)-N-[[1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
CID 145988046
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 787253
4-acetyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
CID 646970
3-(3-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327709

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one (CID 24894887) is 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one is COCn1cc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)NC2)c2ccccc21.
What is the InChIKey of 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The InChIKey is FXOKLOPGTMWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-27-13-25-12-17(15-7-5-6-8-18(15)25)16-11-24-23(26)21(16)14-9-19(28-2)22(30-4)20(10-14)29-3/h5-10,12H,11,13H2,1-4H3,(H,24,26).
What are the key properties of 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one?
3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one has a molecular weight of 408.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methoxymethyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 24894887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).