3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

C26H25ClN2O5 — CID 54229760

IUPAC3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCOc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Oc3ccccc3Cl)nc2)cc1OC
InChIInChI=1S/C26H25ClN2O5/c1-31-23-9-7-18(15-24(23)32-2)20(16-26(30)29-11-13-33-14-12-29)19-8-10-25(28-17-19)34-22-6-4-3-5-21(22)27/h3-10,15-17H,11-14H2,1-2H3
InChIKeyQIKMBEGJIOYUME-UHFFFAOYSA-N
MW480.95 g/mol
LogP4.84
Rot. Bonds7

About 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 54229760) has the molecular formula C26H25ClN2O5 and a molecular weight of 480.95 g/mol. Its IUPAC name is 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID54229760
Molecular FormulaC26H25ClN2O5
Molecular Weight480.95 g/mol
Exact Mass480.15
IUPAC Name3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCOc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Oc3ccccc3Cl)nc2)cc1OC
InChIInChI=1S/C26H25ClN2O5/c1-31-23-9-7-18(15-24(23)32-2)20(16-26(30)29-11-13-33-14-12-29)19-8-10-25(28-17-19)34-22-6-4-3-5-21(22)27/h3-10,15-17H,11-14H2,1-2H3
InChIKeyQIKMBEGJIOYUME-UHFFFAOYSA-N
XLogP4.84
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one with MolForge

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Related Compounds

1-[4-[1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]-3-phenylurea
CID 54348483
4-chlorobenzoyl chloride;4-chloro-N-[4-[1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]benzamide
CID 157201868
(E)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-3-[4-(4-propyl-1,3-dioxolan-2-yl)phenyl]prop-2-en-1-one
CID 172747303
3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-ylprop-2-en-1-one
CID 69169085
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
CID 67584480
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one;methyl (E)-2-[2-[(E)-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxyphenyl]-3-methoxyprop-2-enoate
CID 11621926
[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone
CID 14878855
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766
3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dien-1-one
CID 154364609
3-(4-methoxy-3-methylphenyl)-1-morpholin-4-yl-3-phenylprop-2-ene-1-thione
CID 86742248

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 54229760) is 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is COc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Oc3ccccc3Cl)nc2)cc1OC.
What is the InChIKey of 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is QIKMBEGJIOYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O5/c1-31-23-9-7-18(15-24(23)32-2)20(16-26(30)29-11-13-33-14-12-29)19-8-10-25(28-17-19)34-22-6-4-3-5-21(22)27/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 480.95 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chlorophenoxy)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 54229760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).