(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone

C22H31N3O3 — CID 69282920

IUPAC(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
SMILESCC1CN(C(=O)c2cc3cc(OCCC4CCCN4C)ccc3[nH]2)CC(C)O1
InChIInChI=1S/C22H31N3O3/c1-15-13-25(14-16(2)28-15)22(26)21-12-17-11-19(6-7-20(17)23-21)27-10-8-18-5-4-9-24(18)3/h6-7,11-12,15-16,18,23H,4-5,8-10,13-14H2,1-3H3
InChIKeyNESXODXUGOZRJV-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.28
Rot. Bonds5

About (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone (PubChem CID 69282920) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
PubChem CID69282920
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
SMILESCC1CN(C(=O)c2cc3cc(OCCC4CCCN4C)ccc3[nH]2)CC(C)O1
InChIInChI=1S/C22H31N3O3/c1-15-13-25(14-16(2)28-15)22(26)21-12-17-11-19(6-7-20(17)23-21)27-10-8-18-5-4-9-24(18)3/h6-7,11-12,15-16,18,23H,4-5,8-10,13-14H2,1-3H3
InChIKeyNESXODXUGOZRJV-UHFFFAOYSA-N
XLogP3.28
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone (CID 69282920) is (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone is CC1CN(C(=O)c2cc3cc(OCCC4CCCN4C)ccc3[nH]2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
The InChIKey is NESXODXUGOZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15-13-25(14-16(2)28-15)22(26)21-12-17-11-19(6-7-20(17)23-21)27-10-8-18-5-4-9-24(18)3/h6-7,11-12,15-16,18,23H,4-5,8-10,13-14H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone has a molecular weight of 385.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone is sourced from PubChem (CID 69282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).