3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one

C26H34ClN3O2 — CID 123708459

IUPAC3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one
SMILESCC1CN(CCNCCN2C(=O)C(C)(Cc3ccc(Cl)cc3)c3ccccc32)CC(C)O1
InChIInChI=1S/C26H34ClN3O2/c1-19-17-29(18-20(2)32-19)14-12-28-13-15-30-24-7-5-4-6-23(24)26(3,25(30)31)16-21-8-10-22(27)11-9-21/h4-11,19-20,28H,12-18H2,1-3H3
InChIKeyUABQYQHGXDBPPU-UHFFFAOYSA-N
MW456.03 g/mol
LogP3.89
Rot. Bonds8

About 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one

3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one (PubChem CID 123708459) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one
PubChem CID123708459
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC Name3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one
SMILESCC1CN(CCNCCN2C(=O)C(C)(Cc3ccc(Cl)cc3)c3ccccc32)CC(C)O1
InChIInChI=1S/C26H34ClN3O2/c1-19-17-29(18-20(2)32-19)14-12-28-13-15-30-24-7-5-4-6-23(24)26(3,25(30)31)16-21-8-10-22(27)11-9-21/h4-11,19-20,28H,12-18H2,1-3H3
InChIKeyUABQYQHGXDBPPU-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one (CID 123708459) is 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one is CC1CN(CCNCCN2C(=O)C(C)(Cc3ccc(Cl)cc3)c3ccccc32)CC(C)O1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one?
The InChIKey is UABQYQHGXDBPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c1-19-17-29(18-20(2)32-19)14-12-28-13-15-30-24-7-5-4-6-23(24)26(3,25(30)31)16-21-8-10-22(27)11-9-21/h4-11,19-20,28H,12-18H2,1-3H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one?
3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one has a molecular weight of 456.03 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-[2-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]ethyl]-3-methylindol-2-one is sourced from PubChem (CID 123708459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).