6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one

C23H24F3NO3 — CID 122429138

IUPAC6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)c(C)c1)C2=O
InChIInChI=1S/C23H24F3NO3/c1-14-9-15(3-4-19(14)23(24,25)26)10-17-11-16-12-20(27-5-7-30-8-6-27)21(29-2)13-18(16)22(17)28/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3
InChIKeyZVBPNDSDELOODV-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.46
Rot. Bonds4

About 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one

6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one (PubChem CID 122429138) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
PubChem CID122429138
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)c(C)c1)C2=O
InChIInChI=1S/C23H24F3NO3/c1-14-9-15(3-4-19(14)23(24,25)26)10-17-11-16-12-20(27-5-7-30-8-6-27)21(29-2)13-18(16)22(17)28/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3
InChIKeyZVBPNDSDELOODV-UHFFFAOYSA-N
XLogP4.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethylpiperidin-4-amine;6-methoxy-2-[[3-[(1-methylpiperidin-4-yl)amino]-5-(trifluoromethoxy)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 144806742
6-methoxy-5-morpholin-4-yl-2-[(3E,5E)-7,7,7-trifluoro-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-6-methylhepta-3,5-dienyl]-2,3-dihydroinden-1-one
CID 154986868
4-[7-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2,1-benzoxathiin-6-yl]morpholine
CID 146510812
5-chloro-2-methylbenzaldehyde;(2E)-2-[(5-chloro-2-methylphenyl)methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[(5-chloro-2-methylphenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 159213980
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbaldehyde;(2E)-2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 160900407
2,4-difluorobenzaldehyde;(2E)-2-[(2,4-difluorophenyl)methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one;2-[(2,4-difluorophenyl)methyl]-6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one;6-methoxy-5-morpholin-4-yl-2,3-dihydroinden-1-one
CID 157271742
2-[[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydropyridin-5-yl]methyl]-6-methoxy-5-(3-methylmorpholin-4-yl)-2,3-dihydroinden-1-one
CID 123876967
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
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2-[[2-chloro-5-(trifluoromethyl)phenyl]methylidene]-6-methoxy-5-morpholin-4-yl-3H-inden-1-one
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5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one
CID 70905609
13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88931619

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
The IUPAC name of 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one (CID 122429138) is 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one is COc1cc2c(cc1N1CCOCC1)CC(Cc1ccc(C(F)(F)F)c(C)c1)C2=O.
What is the InChIKey of 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
The InChIKey is ZVBPNDSDELOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c1-14-9-15(3-4-19(14)23(24,25)26)10-17-11-16-12-20(27-5-7-30-8-6-27)21(29-2)13-18(16)22(17)28/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3.
What are the key properties of 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one?
6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one has a molecular weight of 419.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 122429138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).