1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one

C23H26N2O3 — CID 42920231

IUPAC1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESCOc1ccc(C2CCCN2C(=O)CCn2ccc3ccccc32)c(OC)c1
InChIInChI=1S/C23H26N2O3/c1-27-18-9-10-19(22(16-18)28-2)21-8-5-13-25(21)23(26)12-15-24-14-11-17-6-3-4-7-20(17)24/h3-4,6-7,9-11,14,16,21H,5,8,12-13,15H2,1-2H3
InChIKeyRZQXDWMFYQDKTE-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.41
Rot. Bonds6

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

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one (PubChem CID 42920231) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
PubChem CID42920231
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
SMILESCOc1ccc(C2CCCN2C(=O)CCn2ccc3ccccc32)c(OC)c1
InChIInChI=1S/C23H26N2O3/c1-27-18-9-10-19(22(16-18)28-2)21-8-5-13-25(21)23(26)12-15-24-14-11-17-6-3-4-7-20(17)24/h3-4,6-7,9-11,14,16,21H,5,8,12-13,15H2,1-2H3
InChIKeyRZQXDWMFYQDKTE-UHFFFAOYSA-N
XLogP4.41
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129393336
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(2,5-dimethylpyrrol-1-yl)propan-1-one
CID 124879737
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 55889042
2-[3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 30829822
(3S)-3-(benzotriazol-1-yl)-1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 92581747
4-[3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one
CID 26818621
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 37350399
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 43048071

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one (CID 42920231) is 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one is COc1ccc(C2CCCN2C(=O)CCn2ccc3ccccc32)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
The InChIKey is RZQXDWMFYQDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-18-9-10-19(22(16-18)28-2)21-8-5-13-25(21)23(26)12-15-24-14-11-17-6-3-4-7-20(17)24/h3-4,6-7,9-11,14,16,21H,5,8,12-13,15H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one?
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one has a molecular weight of 378.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one is sourced from PubChem (CID 42920231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).