2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone

C24H29N3O2 — CID 110634411

IUPAC2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)N1CCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C24H29N3O2/c28-24(17-19-3-6-21(7-4-19)26-13-15-29-16-14-26)27-12-9-20-5-8-22(18-23(20)27)25-10-1-2-11-25/h3-8,18H,1-2,9-17H2
InChIKeyWIUPXKNDXPBYBO-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone

2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 110634411) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
PubChem CID110634411
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)N1CCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C24H29N3O2/c28-24(17-19-3-6-21(7-4-19)26-13-15-29-16-14-26)27-12-9-20-5-8-22(18-23(20)27)25-10-1-2-11-25/h3-8,18H,1-2,9-17H2
InChIKeyWIUPXKNDXPBYBO-UHFFFAOYSA-N
XLogP3.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634505
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110627232
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
CID 110316103
1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634495
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315902
N-[2-(2-methoxyphenyl)ethyl]-6-morpholin-4-yl-2,3-dihydroindole-1-carboxamide
CID 110634499
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406
1-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 37161321

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone (CID 110634411) is 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone is O=C(Cc1ccc(N2CCOCC2)cc1)N1CCc2ccc(N3CCCC3)cc21.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WIUPXKNDXPBYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-24(17-19-3-6-21(7-4-19)26-13-15-29-16-14-26)27-12-9-20-5-8-22(18-23(20)27)25-10-1-2-11-25/h3-8,18H,1-2,9-17H2.
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone?
2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 391.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 110634411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).