2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one

C22H26N2O2 — CID 110355070

IUPAC2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
SMILESCC(Cc1ccccc1)C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H26N2O2/c1-17(15-18-5-3-2-4-6-18)22(25)24-10-9-19-16-20(7-8-21(19)24)23-11-13-26-14-12-23/h2-8,16-17H,9-15H2,1H3
InChIKeyCUZRLXSOFMIHPG-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.29
Rot. Bonds4

About 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one

2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one (PubChem CID 110355070) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
PubChem CID110355070
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
SMILESCC(Cc1ccccc1)C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C22H26N2O2/c1-17(15-18-5-3-2-4-6-18)22(25)24-10-9-19-16-20(7-8-21(19)24)23-11-13-26-14-12-23/h2-8,16-17H,9-15H2,1H3
InChIKeyCUZRLXSOFMIHPG-UHFFFAOYSA-N
XLogP3.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one (CID 110355070) is 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one is CC(Cc1ccccc1)C(=O)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one?
The InChIKey is CUZRLXSOFMIHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17(15-18-5-3-2-4-6-18)22(25)24-10-9-19-16-20(7-8-21(19)24)23-11-13-26-14-12-23/h2-8,16-17H,9-15H2,1H3.
What are the key properties of 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one?
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one has a molecular weight of 350.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 110355070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).