1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one

C30H32N2O4 — CID 134024061

IUPAC1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C30H32N2O4/c1-34-22-13-10-20(11-14-22)30-24(23-7-4-5-8-25(23)31-30)15-17-29(33)32-18-6-9-26(32)21-12-16-27(35-2)28(19-21)36-3/h4-5,7-8,10-14,16,19,26,31H,6,9,15,17-18H2,1-3H3
InChIKeyOWKFLWIUUOILEM-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.16
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one

1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one (PubChem CID 134024061) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
PubChem CID134024061
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C30H32N2O4/c1-34-22-13-10-20(11-14-22)30-24(23-7-4-5-8-25(23)31-30)15-17-29(33)32-18-6-9-26(32)21-12-16-27(35-2)28(19-21)36-3/h4-5,7-8,10-14,16,19,26,31H,6,9,15,17-18H2,1-3H3
InChIKeyOWKFLWIUUOILEM-UHFFFAOYSA-N
XLogP6.16
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one (CID 134024061) is 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
The InChIKey is OWKFLWIUUOILEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-34-22-13-10-20(11-14-22)30-24(23-7-4-5-8-25(23)31-30)15-17-29(33)32-18-6-9-26(32)21-12-16-27(35-2)28(19-21)36-3/h4-5,7-8,10-14,16,19,26,31H,6,9,15,17-18H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one?
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one has a molecular weight of 484.60 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one is sourced from PubChem (CID 134024061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).