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

C19H24F2N4O3 — CID 77462177

IUPAC2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC(F)(C(=O)N1CCc2c(F)cccc21)C1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C19H24F2N4O3/c1-19(21,18(27)25-6-5-12-13(20)3-2-4-14(12)25)17-22-15(11-16(26)23-17)24-7-9-28-10-8-24/h2-4,15,17,22H,5-11H2,1H3,(H,23,26)
InChIKeyABWKULIWQYLCQH-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.54
Rot. Bonds3

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

2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 77462177) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID77462177
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC(F)(C(=O)N1CCc2c(F)cccc21)C1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C19H24F2N4O3/c1-19(21,18(27)25-6-5-12-13(20)3-2-4-14(12)25)17-22-15(11-16(26)23-17)24-7-9-28-10-8-24/h2-4,15,17,22H,5-11H2,1H3,(H,23,26)
InChIKeyABWKULIWQYLCQH-UHFFFAOYSA-N
XLogP0.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 77462177) is 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one is CC(F)(C(=O)N1CCc2c(F)cccc21)C1NC(=O)CC(N2CCOCC2)N1.
What is the InChIKey of 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is ABWKULIWQYLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-19(21,18(27)25-6-5-12-13(20)3-2-4-14(12)25)17-22-15(11-16(26)23-17)24-7-9-28-10-8-24/h2-4,15,17,22H,5-11H2,1H3,(H,23,26).
What are the key properties of 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 394.42 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-1-(4-fluoro-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 77462177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).