[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone

C18H19BrN2O3 — CID 166191127

IUPAC[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC(C)O1
InChIInChI=1S/C18H19BrN2O3/c1-12-10-21(11-13(2)23-12)18(22)14-3-8-17(20-9-14)24-16-6-4-15(19)5-7-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVQAFUHZZXZWUCB-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.89
Rot. Bonds3

About [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone

[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 166191127) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID166191127
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC(C)O1
InChIInChI=1S/C18H19BrN2O3/c1-12-10-21(11-13(2)23-12)18(22)14-3-8-17(20-9-14)24-16-6-4-15(19)5-7-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVQAFUHZZXZWUCB-UHFFFAOYSA-N
XLogP3.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661
[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119559842
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[6-(4-bromophenoxy)-3-pyridinyl]methanone
CID 124611130
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 51931215
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 166191127) is [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC(C)O1.
What is the InChIKey of [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is VQAFUHZZXZWUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-10-21(11-13(2)23-12)18(22)14-3-8-17(20-9-14)24-16-6-4-15(19)5-7-16/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 391.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 166191127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).