(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

C22H24N2O3 — CID 113088442

IUPAC(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC(c2cc3ccccc3n2C)C1
InChIInChI=1S/C22H24N2O3/c1-23-17-8-5-4-7-15(17)13-18(23)16-11-12-24(14-16)22(25)21-19(26-2)9-6-10-20(21)27-3/h4-10,13,16H,11-12,14H2,1-3H3
InChIKeyIJRGIZJPKMMIBS-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.83
Rot. Bonds4

About (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 113088442) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID113088442
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC(c2cc3ccccc3n2C)C1
InChIInChI=1S/C22H24N2O3/c1-23-17-8-5-4-7-15(17)13-18(23)16-11-12-24(14-16)22(25)21-19(26-2)9-6-10-20(21)27-3/h4-10,13,16H,11-12,14H2,1-3H3
InChIKeyIJRGIZJPKMMIBS-UHFFFAOYSA-N
XLogP3.83
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934
2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 97181730
(2,6-dimethoxyphenyl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92609056
(2,6-dimethoxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584599
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (CID 113088442) is (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCC(c2cc3ccccc3n2C)C1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is IJRGIZJPKMMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-23-17-8-5-4-7-15(17)13-18(23)16-11-12-24(14-16)22(25)21-19(26-2)9-6-10-20(21)27-3/h4-10,13,16H,11-12,14H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113088442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).