2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone

C19H22BrN3O3 — CID 57393276

IUPAC2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C19H22BrN3O3/c20-16-3-1-2-4-18(16)26-14-17(24)15-5-6-19(22-13-15)21-7-8-23-9-11-25-12-10-23/h1-6,13H,7-12,14H2,(H,21,22)
InChIKeyKZYNYBXEAHUALR-UHFFFAOYSA-N
MW420.31 g/mol
LogP2.85
Rot. Bonds8

About 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone

2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone (PubChem CID 57393276) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone
PubChem CID57393276
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C19H22BrN3O3/c20-16-3-1-2-4-18(16)26-14-17(24)15-5-6-19(22-13-15)21-7-8-23-9-11-25-12-10-23/h1-6,13H,7-12,14H2,(H,21,22)
InChIKeyKZYNYBXEAHUALR-UHFFFAOYSA-N
XLogP2.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone (CID 57393276) is 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone is O=C(COc1ccccc1Br)c1ccc(NCCN2CCOCC2)nc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone?
The InChIKey is KZYNYBXEAHUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c20-16-3-1-2-4-18(16)26-14-17(24)15-5-6-19(22-13-15)21-7-8-23-9-11-25-12-10-23/h1-6,13H,7-12,14H2,(H,21,22).
What are the key properties of 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone?
2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone has a molecular weight of 420.31 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 57393276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).