(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one

C24H23NO3 — CID 7947303

IUPAC(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCOc1ccc2cc(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)ccc2c1
InChIInChI=1S/C24H23NO3/c1-27-23-10-7-19-16-21(6-5-20(19)17-23)24(26)11-4-18-2-8-22(9-3-18)25-12-14-28-15-13-25/h2-11,16-17H,12-15H2,1H3/b11-4+
InChIKeyMZIOZFJVLLRFGJ-NYYWCZLTSA-N
MW373.45 g/mol
LogP4.58
Rot. Bonds5

About (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one

(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 7947303) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID7947303
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCOc1ccc2cc(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)ccc2c1
InChIInChI=1S/C24H23NO3/c1-27-23-10-7-19-16-21(6-5-20(19)17-23)24(26)11-4-18-2-8-22(9-3-18)25-12-14-28-15-13-25/h2-11,16-17H,12-15H2,1H3/b11-4+
InChIKeyMZIOZFJVLLRFGJ-NYYWCZLTSA-N
XLogP4.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
CID 155927198
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 8684941
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
methyl 4-[[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
CID 3978163
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 8684945
3-(4-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide
CID 3468232
(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9272098
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 7947303) is (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one is COc1ccc2cc(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)ccc2c1.
What is the InChIKey of (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is MZIOZFJVLLRFGJ-NYYWCZLTSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-23-10-7-19-16-21(6-5-20(19)17-23)24(26)11-4-18-2-8-22(9-3-18)25-12-14-28-15-13-25/h2-11,16-17H,12-15H2,1H3/b11-4+.
What are the key properties of (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 373.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 7947303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).