3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one

C26H23ClN2O3 — CID 51002367

IUPAC3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
SMILESO=C1C(c2cccnc2)=C(c2ccc(Cl)cc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C26H23ClN2O3/c27-20-5-3-18(4-6-20)24-22-8-7-21(32-15-12-29-10-13-31-14-11-29)16-23(22)26(30)25(24)19-2-1-9-28-17-19/h1-9,16-17H,10-15H2
InChIKeyGRKCUATXPUWMRI-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.60
Rot. Bonds6

About 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one

3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one (PubChem CID 51002367) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
PubChem CID51002367
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC Name3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
SMILESO=C1C(c2cccnc2)=C(c2ccc(Cl)cc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C26H23ClN2O3/c27-20-5-3-18(4-6-20)24-22-8-7-21(32-15-12-29-10-13-31-14-11-29)16-23(22)26(30)25(24)19-2-1-9-28-17-19/h1-9,16-17H,10-15H2
InChIKeyGRKCUATXPUWMRI-UHFFFAOYSA-N
XLogP4.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002326
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-4-ylinden-1-one
CID 51002189
6-(2-morpholin-4-ylethoxy)-3-phenyl-2-quinolin-3-ylinden-1-one
CID 51002188
3-(3,5-difluorophenyl)-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-2-pyridin-3-ylinden-1-one;hydrochloride
CID 70316114
2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002094
ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
CID 68697506
3-(4-chlorophenyl)-2-(3,4-difluorophenyl)-6-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]inden-1-one
CID 51001832
5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
CID 141124358
1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
CID 69346336
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
5-methyl-6-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 67298576

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one?
The IUPAC name of 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one (CID 51002367) is 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one is O=C1C(c2cccnc2)=C(c2ccc(Cl)cc2)c2ccc(OCCN3CCOCC3)cc21.
What is the InChIKey of 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one?
The InChIKey is GRKCUATXPUWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c27-20-5-3-18(4-6-20)24-22-8-7-21(32-15-12-29-10-13-31-14-11-29)16-23(22)26(30)25(24)19-2-1-9-28-17-19/h1-9,16-17H,10-15H2.
What are the key properties of 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one?
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one has a molecular weight of 446.93 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one is sourced from PubChem (CID 51002367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).