1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

C18H18ClN3O3 — CID 3483666

IUPAC1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C18H18ClN3O3/c19-14-9-16(11-20-10-14)25-13-17-12-22(7-8-24-17)18(23)5-4-15-3-1-2-6-21-15/h1-6,9-11,17H,7-8,12-13H2
InChIKeyNBLFENRZONGXSP-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one

1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 3483666) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
PubChem CID3483666
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C18H18ClN3O3/c19-14-9-16(11-20-10-14)25-13-17-12-22(7-8-24-17)18(23)5-4-15-3-1-2-6-21-15/h1-6,9-11,17H,7-8,12-13H2
InChIKeyNBLFENRZONGXSP-UHFFFAOYSA-N
XLogP2.45
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one with MolForge

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Related Compounds

[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 3737698
3-(1H-benzimidazol-2-yl)-1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]propan-1-one
CID 3745708
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5103891
methyl 5-[[4-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3736387
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 3817338
[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
CID 3871142
methyl 3-[[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate
CID 3872021
1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one
CID 3751246
3-(2-chloro-6-fluorophenyl)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
CID 3713766
methyl 5-[[4-(2-iodobenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3750050
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
CID 3861616
3-(3-bromo-4-fluorophenyl)-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
CID 3855774

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one (CID 3483666) is 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is O=C(C=Cc1ccccn1)N1CCOC(COc2cncc(Cl)c2)C1.
What is the InChIKey of 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is NBLFENRZONGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-14-9-16(11-20-10-14)25-13-17-12-22(7-8-24-17)18(23)5-4-15-3-1-2-6-21-15/h1-6,9-11,17H,7-8,12-13H2.
What are the key properties of 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one?
1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 359.81 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 3483666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).