1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one

C22H26N2O3 — CID 110316103

IUPAC1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C22H26N2O3/c25-22(7-4-14-27-20-5-2-1-3-6-20)24-11-10-18-8-9-19(17-21(18)24)23-12-15-26-16-13-23/h1-3,5-6,8-9,17H,4,7,10-16H2
InChIKeyGOKFMGPMGZPEMW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.27
Rot. Bonds6

About 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one

1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one (PubChem CID 110316103) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
PubChem CID110316103
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C22H26N2O3/c25-22(7-4-14-27-20-5-2-1-3-6-20)24-11-10-18-8-9-19(17-21(18)24)23-12-15-26-16-13-23/h1-3,5-6,8-9,17H,4,7,10-16H2
InChIKeyGOKFMGPMGZPEMW-UHFFFAOYSA-N
XLogP3.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
1-(4-methoxyphenyl)-4-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634495
2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634411
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110634578
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-(2,2-dimethyl-7-morpholin-4-yl-3,4-dihydroquinolin-1-yl)-4-phenylbutan-1-one
CID 167545122
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
6-methoxy-1-(4-phenoxybutanoyl)-2,3-dihydroquinolin-4-one
CID 110635212
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634505

Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one?
The IUPAC name of 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one (CID 110316103) is 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one.
What is the SMILES notation for 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one?
The canonical SMILES for 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one is O=C(CCCOc1ccccc1)N1CCc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one?
The InChIKey is GOKFMGPMGZPEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(7-4-14-27-20-5-2-1-3-6-20)24-11-10-18-8-9-19(17-21(18)24)23-12-15-26-16-13-23/h1-3,5-6,8-9,17H,4,7,10-16H2.
What are the key properties of 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one?
1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one has a molecular weight of 366.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-4-phenoxybutan-1-one is sourced from PubChem (CID 110316103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).