4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

C14H14F2N2O3 — CID 79175165

IUPAC4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3c(F)cc(F)cc32)C1
InChIInChI=1S/C14H14F2N2O3/c1-17-2-3-21-9(6-17)7-18-11-5-8(15)4-10(16)12(11)13(19)14(18)20/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXMWDVXXJASXGIT-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.82
Rot. Bonds2

About 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione

4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (PubChem CID 79175165) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
PubChem CID79175165
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCN1CCOC(CN2C(=O)C(=O)c3c(F)cc(F)cc32)C1
InChIInChI=1S/C14H14F2N2O3/c1-17-2-3-21-9(6-17)7-18-11-5-8(15)4-10(16)12(11)13(19)14(18)20/h4-5,9H,2-3,6-7H2,1H3
InChIKeyXMWDVXXJASXGIT-UHFFFAOYSA-N
XLogP0.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166
4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
CID 55090457
7-bromo-5-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79174305
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79172063
7-bromo-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79171085
1-butyl-4,6-difluoroindole-2,3-dione
CID 61357345
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 79071422
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172288
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
3-[(4-methylmorpholin-2-yl)methyl]imidazolidine-2,4-dione
CID 103936187

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione (CID 79175165) is 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is CN1CCOC(CN2C(=O)C(=O)c3c(F)cc(F)cc32)C1.
What is the InChIKey of 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
The InChIKey is XMWDVXXJASXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-17-2-3-21-9(6-17)7-18-11-5-8(15)4-10(16)12(11)13(19)14(18)20/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione?
4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione has a molecular weight of 296.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79175165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).