1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one

C24H23ClN2O2 — CID 127252242

IUPAC1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCOC(c2ccc(-c3cccc(Cl)c3)cn2)C1
InChIInChI=1S/C24H23ClN2O2/c25-21-8-4-7-19(15-21)20-10-11-22(26-16-20)23-17-27(13-14-29-23)24(28)12-9-18-5-2-1-3-6-18/h1-8,10-11,15-16,23H,9,12-14,17H2
InChIKeyUWOZXPFCLWEVCH-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.93
Rot. Bonds5

About 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one

1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 127252242) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
PubChem CID127252242
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCOC(c2ccc(-c3cccc(Cl)c3)cn2)C1
InChIInChI=1S/C24H23ClN2O2/c25-21-8-4-7-19(15-21)20-10-11-22(26-16-20)23-17-27(13-14-29-23)24(28)12-9-18-5-2-1-3-6-18/h1-8,10-11,15-16,23H,9,12-14,17H2
InChIKeyUWOZXPFCLWEVCH-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015
3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 132772804
4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 125014118
N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide
CID 127252304
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95819705
1-[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110255306
3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
CID 127250335
2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
CID 127250284
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 146131766

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one (CID 127252242) is 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCOC(c2ccc(-c3cccc(Cl)c3)cn2)C1.
What is the InChIKey of 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is UWOZXPFCLWEVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c25-21-8-4-7-19(15-21)20-10-11-22(26-16-20)23-17-27(13-14-29-23)24(28)12-9-18-5-2-1-3-6-18/h1-8,10-11,15-16,23H,9,12-14,17H2.
What are the key properties of 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one?
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 406.91 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 127252242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).