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

C19H24F2N4O4 — CID 76534549

IUPAC2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(OC(F)F)cccc32)N1
InChIInChI=1S/C19H24F2N4O4/c20-19(21)29-14-3-1-2-13-12(14)4-5-25(13)18(27)10-15-22-16(11-17(26)23-15)24-6-8-28-9-7-24/h1-3,15-16,19,22H,4-11H2,(H,23,26)
InChIKeySEUSLWSRIJVNKL-UHFFFAOYSA-N
MW410.42 g/mol
LogP0.66
Rot. Bonds5

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

2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 76534549) has the molecular formula C19H24F2N4O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID76534549
Molecular FormulaC19H24F2N4O4
Molecular Weight410.42 g/mol
Exact Mass410.18
IUPAC Name2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(OC(F)F)cccc32)N1
InChIInChI=1S/C19H24F2N4O4/c20-19(21)29-14-3-1-2-13-12(14)4-5-25(13)18(27)10-15-22-16(11-17(26)23-15)24-6-8-28-9-7-24/h1-3,15-16,19,22H,4-11H2,(H,23,26)
InChIKeySEUSLWSRIJVNKL-UHFFFAOYSA-N
XLogP0.66
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 76534549) is 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is O=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(OC(F)F)cccc32)N1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is SEUSLWSRIJVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O4/c20-19(21)29-14-3-1-2-13-12(14)4-5-25(13)18(27)10-15-22-16(11-17(26)23-15)24-6-8-28-9-7-24/h1-3,15-16,19,22H,4-11H2,(H,23,26).
What are the key properties of 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 410.42 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 76534549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).