(E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride

C14H19ClN2O4 — CID 18797679

IUPAC(E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
SMILESCOc1cnc(/C=C/C(=O)N2CCOCC2)cc1OC.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-18-12-9-11(15-10-13(12)19-2)3-4-14(17)16-5-7-20-8-6-16;/h3-4,9-10H,5-8H2,1-2H3;1H/b4-3+;
InChIKeyKXKIYOSQDHEGNJ-BJILWQEISA-N
MW314.77 g/mol
LogP1.39
Rot. Bonds4

About (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride

(E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride (PubChem CID 18797679) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name(E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
PubChem CID18797679
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name(E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
SMILESCOc1cnc(/C=C/C(=O)N2CCOCC2)cc1OC.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-18-12-9-11(15-10-13(12)19-2)3-4-14(17)16-5-7-20-8-6-16;/h3-4,9-10H,5-8H2,1-2H3;1H/b4-3+;
InChIKeyKXKIYOSQDHEGNJ-BJILWQEISA-N
XLogP1.39
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride 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

(E)-3-(5-chloro-2-methoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 94589862
3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 4690668
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(E)-1-(4-acetylpiperazin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 35741568
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
(2-morpholin-4-yl-2-oxoethyl) 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 3968128
(E)-3-(3-ethoxy-4-methoxyphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]prop-2-en-1-one
CID 55735810
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 82153475
(6aS)-2-methoxy-3-[10-[2-methoxy-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenoxy]decoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 46200175

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
The IUPAC name of (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride (CID 18797679) is (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride.
What is the SMILES notation for (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
The canonical SMILES for (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride is COc1cnc(/C=C/C(=O)N2CCOCC2)cc1OC.Cl.
What is the InChIKey of (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
The InChIKey is KXKIYOSQDHEGNJ-BJILWQEISA-N. The full InChI is InChI=1S/C14H18N2O4.ClH/c1-18-12-9-11(15-10-13(12)19-2)3-4-14(17)16-5-7-20-8-6-16;/h3-4,9-10H,5-8H2,1-2H3;1H/b4-3+;.
What are the key properties of (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
(E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride is sourced from PubChem (CID 18797679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).