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

C19H25FN4O3 — CID 76525137

IUPAC2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one
SMILESCC1CN(C2CC(=O)NC(CC(=O)N3CCc4c(F)cccc43)N2)CCO1
InChIInChI=1S/C19H25FN4O3/c1-12-11-23(7-8-27-12)17-10-18(25)22-16(21-17)9-19(26)24-6-5-13-14(20)3-2-4-15(13)24/h2-4,12,16-17,21H,5-11H2,1H3,(H,22,25)
InChIKeyYSYRFTHJVZZKAL-UHFFFAOYSA-N
MW376.43 g/mol
LogP0.59
Rot. Bonds3

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

2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one (PubChem CID 76525137) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one
PubChem CID76525137
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one
SMILESCC1CN(C2CC(=O)NC(CC(=O)N3CCc4c(F)cccc43)N2)CCO1
InChIInChI=1S/C19H25FN4O3/c1-12-11-23(7-8-27-12)17-10-18(25)22-16(21-17)9-19(26)24-6-5-13-14(20)3-2-4-15(13)24/h2-4,12,16-17,21H,5-11H2,1H3,(H,22,25)
InChIKeyYSYRFTHJVZZKAL-UHFFFAOYSA-N
XLogP0.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.59
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-methylmorpholin-4-yl)-1,3-diazinan-4-one?
The IUPAC name of 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one (CID 76525137) is 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-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-methylmorpholin-4-yl)-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one is CC1CN(C2CC(=O)NC(CC(=O)N3CCc4c(F)cccc43)N2)CCO1.
What is the InChIKey of 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one?
The InChIKey is YSYRFTHJVZZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-12-11-23(7-8-27-12)17-10-18(25)22-16(21-17)9-19(26)24-6-5-13-14(20)3-2-4-15(13)24/h2-4,12,16-17,21H,5-11H2,1H3,(H,22,25).
What are the key properties of 2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one?
2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(2-methylmorpholin-4-yl)-1,3-diazinan-4-one has a molecular weight of 376.43 g/mol, XLogP of 0.59, 3 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-methylmorpholin-4-yl)-1,3-diazinan-4-one is sourced from PubChem (CID 76525137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).