1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one

C26H30N2O4 — CID 155210878

IUPAC1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCC(CC(C)=O)C3)cc12
InChIInChI=1S/C26H30N2O4/c1-5-20-21-13-19(26(30)28-11-10-17(15-28)12-16(2)29)6-8-22(21)27-25(20)18-7-9-23(31-3)24(14-18)32-4/h6-9,13-14,17,27H,5,10-12,15H2,1-4H3
InChIKeyHFYQTEIJFAAKED-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.86
Rot. Bonds7

About 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one

1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one (PubChem CID 155210878) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one
PubChem CID155210878
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCC(CC(C)=O)C3)cc12
InChIInChI=1S/C26H30N2O4/c1-5-20-21-13-19(26(30)28-11-10-17(15-28)12-16(2)29)6-8-22(21)27-25(20)18-7-9-23(31-3)24(14-18)32-4/h6-9,13-14,17,27H,5,10-12,15H2,1-4H3
InChIKeyHFYQTEIJFAAKED-UHFFFAOYSA-N
XLogP4.86
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 150790938
[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 155210876
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
CID 150682988
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
2-[[2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]amino]acetonitrile
CID 134231138
[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 134231041
1-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethanone
CID 134230178
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide
CID 154641121
[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-[2-(1-methylpiperidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155210909
[1-[4-[3-ethyl-2-(3-formyl-4-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 166754126

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one?
The IUPAC name of 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one (CID 155210878) is 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)N3CCC(CC(C)=O)C3)cc12.
What is the InChIKey of 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one?
The InChIKey is HFYQTEIJFAAKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-5-20-21-13-19(26(30)28-11-10-17(15-28)12-16(2)29)6-8-22(21)27-25(20)18-7-9-23(31-3)24(14-18)32-4/h6-9,13-14,17,27H,5,10-12,15H2,1-4H3.
What are the key properties of 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one?
1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one has a molecular weight of 434.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carbonyl]pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 155210878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).