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

C22H19ClN2O2 — CID 40564659

IUPAC(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-22-18(15-17-3-1-2-4-20(17)24-22)7-10-21(26)16-5-8-19(9-6-16)25-11-13-27-14-12-25/h1-10,15H,11-14H2/b10-7+
InChIKeyLGNGFQZPKRBOQQ-JXMROGBWSA-N
MW378.86 g/mol
LogP4.62
Rot. Bonds4

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

(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 40564659) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID40564659
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-22-18(15-17-3-1-2-4-20(17)24-22)7-10-21(26)16-5-8-19(9-6-16)25-11-13-27-14-12-25/h1-10,15H,11-14H2/b10-7+
InChIKeyLGNGFQZPKRBOQQ-JXMROGBWSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(E)-3-(2-chloroquinolin-3-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 52952841
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570
3-[2-(difluoromethoxy)phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 4800632
2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide
CID 11684723
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 51424205
(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 6297755
(E)-3-(2-chloroquinolin-3-yl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
CID 122188343
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197
N-hydroxy-3-[6-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 74428632
(E)-3-(2-morpholin-4-ylquinolin-3-yl)-1-(3-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 134811826
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 40564659) is (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1cc2ccccc2nc1Cl)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is LGNGFQZPKRBOQQ-JXMROGBWSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-22-18(15-17-3-1-2-4-20(17)24-22)7-10-21(26)16-5-8-19(9-6-16)25-11-13-27-14-12-25/h1-10,15H,11-14H2/b10-7+.
What are the key properties of (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 378.86 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloroquinolin-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 40564659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).