2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one

C19H24F2N4O3 — CID 76525136

IUPAC2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOC(CF)C2)NC(CC(=O)N2CCc3c(F)cccc32)N1
InChIInChI=1S/C19H24F2N4O3/c20-10-12-11-24(6-7-28-12)17-9-18(26)23-16(22-17)8-19(27)25-5-4-13-14(21)2-1-3-15(13)25/h1-3,12,16-17,22H,4-11H2,(H,23,26)
InChIKeyPOJNZJFVFZVZAL-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.54
Rot. Bonds4

About 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one

2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one (PubChem CID 76525136) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one
PubChem CID76525136
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOC(CF)C2)NC(CC(=O)N2CCc3c(F)cccc32)N1
InChIInChI=1S/C19H24F2N4O3/c20-10-12-11-24(6-7-28-12)17-9-18(26)23-16(22-17)8-19(27)25-5-4-13-14(21)2-1-3-15(13)25/h1-3,12,16-17,22H,4-11H2,(H,23,26)
InChIKeyPOJNZJFVFZVZAL-UHFFFAOYSA-N
XLogP0.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one?
The IUPAC name of 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one (CID 76525136) is 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one is O=C1CC(N2CCOC(CF)C2)NC(CC(=O)N2CCc3c(F)cccc32)N1.
What is the InChIKey of 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one?
The InChIKey is POJNZJFVFZVZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c20-10-12-11-24(6-7-28-12)17-9-18(26)23-16(22-17)8-19(27)25-5-4-13-14(21)2-1-3-15(13)25/h1-3,12,16-17,22H,4-11H2,(H,23,26).
What are the key properties of 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one?
2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one has a molecular weight of 394.42 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[2-(fluoromethyl)morpholin-4-yl]-1,3-diazinan-4-one is sourced from PubChem (CID 76525136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).