2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one

C21H22N2O3 — CID 2966075

IUPAC2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(c1c[nH]c2ccccc12)C(O)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H22N2O3/c24-20(17-14-22-18-9-5-4-8-16(17)18)21(25)19(15-6-2-1-3-7-15)23-10-12-26-13-11-23/h1-9,14,19,21-22,25H,10-13H2
InChIKeyCFARFXUMTWQPCG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.79
Rot. Bonds5

About 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one

2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 2966075) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID2966075
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(c1c[nH]c2ccccc12)C(O)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H22N2O3/c24-20(17-14-22-18-9-5-4-8-16(17)18)21(25)19(15-6-2-1-3-7-15)23-10-12-26-13-11-23/h1-9,14,19,21-22,25H,10-13H2
InChIKeyCFARFXUMTWQPCG-UHFFFAOYSA-N
XLogP2.79
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one (CID 2966075) is 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one is O=C(c1c[nH]c2ccccc12)C(O)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is CFARFXUMTWQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(17-14-22-18-9-5-4-8-16(17)18)21(25)19(15-6-2-1-3-7-15)23-10-12-26-13-11-23/h1-9,14,19,21-22,25H,10-13H2.
What are the key properties of 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one?
2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 350.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1H-indol-3-yl)-3-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 2966075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).