5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one

C23H20Cl2N2O3 — CID 123700423

IUPAC5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
SMILESCN1C(=O)C(C(O)c2ccncc2)OC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-27-19(14-2-6-17(24)7-3-14)21(16-4-8-18(25)9-5-16)30-22(23(27)29)20(28)15-10-12-26-13-11-15/h2-13,19-22,28H,1H3
InChIKeyGEKLPTGXVUBLLI-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.76
Rot. Bonds4

About 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one

5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one (PubChem CID 123700423) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
PubChem CID123700423
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC Name5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
SMILESCN1C(=O)C(C(O)c2ccncc2)OC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O3/c1-27-19(14-2-6-17(24)7-3-14)21(16-4-8-18(25)9-5-16)30-22(23(27)29)20(28)15-10-12-26-13-11-15/h2-13,19-22,28H,1H3
InChIKeyGEKLPTGXVUBLLI-UHFFFAOYSA-N
XLogP4.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
CID 118622941
[[(2S)-6-(4-chlorophenyl)-4-methyl-5-(4-methylphenyl)-3-oxomorpholin-2-yl]-pyridin-4-ylmethyl] acetate
CID 158664437
2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-[(R)-hydroxy(pyridin-4-yl)methyl]-5-oxomorpholin-4-yl]pentanoic acid
CID 118622976
(2R,5S,6S)-2-[(S)-(3,5-dichlorophenyl)-hydroxymethyl]-4,5-dimethyl-6-phenylmorpholin-3-one
CID 102308334
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
CID 118622892
4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide
CID 90357357
(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one
CID 90371867
(2R,5S,6R)-5,6-bis(4-chlorophenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methylmorpholin-3-one
CID 90357790
methyl 4-[[(2S,5R,6S)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzoate
CID 90357542
(2S)-2-[(2R,3S,6R)-2,3-bis(4-chlorophenyl)-5-oxo-6-(pyridin-4-ylmethyl)morpholin-4-yl]pentanoic acid;(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-5-oxo-6-(pyridin-4-ylmethyl)morpholin-4-yl]pentanoic acid
CID 158321679
(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
CID 95733150
ethyl (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-5-oxo-6-(pyridin-4-ylmethyl)morpholin-4-yl]pentanoate
CID 118632013

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
The IUPAC name of 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one (CID 123700423) is 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one is CN1C(=O)C(C(O)c2ccncc2)OC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
The InChIKey is GEKLPTGXVUBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-27-19(14-2-6-17(24)7-3-14)21(16-4-8-18(25)9-5-16)30-22(23(27)29)20(28)15-10-12-26-13-11-15/h2-13,19-22,28H,1H3.
What are the key properties of 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one?
5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one has a molecular weight of 443.33 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 123700423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).