3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one

C22H26N2O2 — CID 110316014

IUPAC3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3cc(N4CCCC4)ccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-8-4-17(5-9-20)6-11-22(25)24-15-12-18-16-19(7-10-21(18)24)23-13-2-3-14-23/h4-5,7-10,16H,2-3,6,11-15H2,1H3
InChIKeyXDEBHOBYTGHEAU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.82
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one

3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 110316014) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID110316014
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCc3cc(N4CCCC4)ccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-26-20-8-4-17(5-9-20)6-11-22(25)24-15-12-18-16-19(7-10-21(18)24)23-13-2-3-14-23/h4-5,7-10,16H,2-3,6,11-15H2,1H3
InChIKeyXDEBHOBYTGHEAU-UHFFFAOYSA-N
XLogP3.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 50789486
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
3-[3-oxo-3-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propyl]-1H-quinolin-2-one
CID 110355057
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
1-(5-piperazin-1-yl-2,3-dihydroindol-1-yl)butan-1-one
CID 28707300
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one (CID 110316014) is 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one is COc1ccc(CCC(=O)N2CCc3cc(N4CCCC4)ccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is XDEBHOBYTGHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-20-8-4-17(5-9-20)6-11-22(25)24-15-12-18-16-19(7-10-21(18)24)23-13-2-3-14-23/h4-5,7-10,16H,2-3,6,11-15H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 350.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 110316014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).