4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one

C26H26N2O3 — CID 170169578

IUPAC4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
SMILESCc1cccc(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)c1
InChIInChI=1S/C26H26N2O3/c1-17-4-3-5-20(12-17)24-9-6-19(13-27-24)14-28-10-11-30-25(15-28)21-7-8-22-23(18(21)2)16-31-26(22)29/h3-9,12-13,25H,10-11,14-16H2,1-2H3/t25-/m0/s1
InChIKeyMLHUHKXVZZCHCC-VWLOTQADSA-N
MW414.51 g/mol
LogP4.61
Rot. Bonds4

About 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one

4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one (PubChem CID 170169578) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
PubChem CID170169578
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
SMILESCc1cccc(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)c1
InChIInChI=1S/C26H26N2O3/c1-17-4-3-5-20(12-17)24-9-6-19(13-27-24)14-28-10-11-30-25(15-28)21-7-8-22-23(18(21)2)16-31-26(22)29/h3-9,12-13,25H,10-11,14-16H2,1-2H3/t25-/m0/s1
InChIKeyMLHUHKXVZZCHCC-VWLOTQADSA-N
XLogP4.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one with MolForge

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Related Compounds

3-methyl-5-[5-[[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]methyl]-2-pyridinyl]-1,3-benzoxazol-2-one
CID 137350501
4-methyl-5-[4-[(1-thiophen-3-ylpyrazol-4-yl)methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
CID 146461878
4-methyl-5-[(2R)-4-[[2-(4-methylimidazol-1-yl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
CID 137350801
4-methyl-5-[(2R)-4-[[1-(3-methyl-2H-1,3-benzoxazol-5-yl)imidazol-4-yl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one
CID 175874439
6-[4-[1-hydroxy-2-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholin-4-yl]ethyl]pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
CID 137350610
4-methyl-5-[4-[[2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]piperazin-2-yl]-3H-2-benzofuran-1-one
CID 146461884
5-[(2R,6R)-6-amino-4-[(6-bromo-3-pyridinyl)methyl]piperazin-2-yl]-4-methyl-3H-2-benzofuran-1-one
CID 170287292
5-[4-[[6-(3-methoxypyrazol-1-yl)-3-pyridinyl]methyl]piperazin-2-yl]-4-methyl-3H-2-benzofuran-1-one
CID 146461845
4-methyl-5-[(2R)-oxiran-2-yl]-3H-2-benzofuran-1-one
CID 59568646
3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124956411
5-[(2R)-4-[[2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidin-5-yl]methyl]piperazin-2-yl]-4-methyl-3H-2-benzofuran-1-one
CID 137351030
3-methyl-5-[5-[(2R)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)morpholine-4-carbonyl]-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
CID 137350522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one (CID 170169578) is 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one is Cc1cccc(-c2ccc(CN3CCO[C@H](c4ccc5c(c4C)COC5=O)C3)cn2)c1.
What is the InChIKey of 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is MLHUHKXVZZCHCC-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17-4-3-5-20(12-17)24-9-6-19(13-27-24)14-28-10-11-30-25(15-28)21-7-8-22-23(18(21)2)16-31-26(22)29/h3-9,12-13,25H,10-11,14-16H2,1-2H3/t25-/m0/s1.
What are the key properties of 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one?
4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 414.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2R)-4-[[6-(3-methylphenyl)-3-pyridinyl]methyl]morpholin-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 170169578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).