(E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one

C22H20N2O2 — CID 162352576

IUPAC(E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C22H20N2O2/c25-22(24-11-13-26-14-12-24)8-7-18-9-10-23-16-21(18)20-6-5-17-3-1-2-4-19(17)15-20/h1-10,15-16H,11-14H2/b8-7+
InChIKeyIYGBZTPDEDMCTE-BQYQJAHWSA-N
MW344.41 g/mol
LogP3.77
Rot. Bonds3

About (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one

(E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one (PubChem CID 162352576) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one
PubChem CID162352576
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C22H20N2O2/c25-22(24-11-13-26-14-12-24)8-7-18-9-10-23-16-21(18)20-6-5-17-3-1-2-4-19(17)15-20/h1-10,15-16H,11-14H2/b8-7+
InChIKeyIYGBZTPDEDMCTE-BQYQJAHWSA-N
XLogP3.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(Naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 787271
4-[2-[(3E)-3-(isoquinolin-5-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948234
(E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
CID 162352561
ethyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
CID 162352568
methyl (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enoate
CID 162352573
(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
CID 164626291
ethyl 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]acetate bromide
CID 13972310
N-(1-(pyridin-4-ylmethyl)piperidin-4-yl)-2-naphthamide
CID 44431495
(E)-N,N-dimethyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
CID 164611177
(E)-1-(4-methylpiperazin-1-yl)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one
CID 164619353
1-Morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)propan-1-one
CID 164622870
(E)-1-(3-methoxyazetidin-1-yl)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one
CID 164624859

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one (CID 162352576) is (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one is O=C(/C=C/c1ccncc1-c1ccc2ccccc2c1)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one?
The InChIKey is IYGBZTPDEDMCTE-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-22(24-11-13-26-14-12-24)8-7-18-9-10-23-16-21(18)20-6-5-17-3-1-2-4-19(17)15-20/h1-10,15-16H,11-14H2/b8-7+.
What are the key properties of (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one?
(E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one has a molecular weight of 344.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 162352576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).