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

C19H26N4O4 — CID 75306142

IUPAC2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(CO)cccc32)N1
InChIInChI=1S/C19H26N4O4/c24-12-13-2-1-3-15-14(13)4-5-23(15)19(26)10-16-20-17(11-18(25)21-16)22-6-8-27-9-7-22/h1-3,16-17,20,24H,4-12H2,(H,21,25)
InChIKeyDLTWIYNPOVNCAT-UHFFFAOYSA-N
MW374.44 g/mol
LogP-0.45
Rot. Bonds4

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

2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 75306142) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID75306142
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(CO)cccc32)N1
InChIInChI=1S/C19H26N4O4/c24-12-13-2-1-3-15-14(13)4-5-23(15)19(26)10-16-20-17(11-18(25)21-16)22-6-8-27-9-7-22/h1-3,16-17,20,24H,4-12H2,(H,21,25)
InChIKeyDLTWIYNPOVNCAT-UHFFFAOYSA-N
XLogP-0.45
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 75306142) is 2-[2-[4-(hydroxymethyl)-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-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is O=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(CO)cccc32)N1.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is DLTWIYNPOVNCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c24-12-13-2-1-3-15-14(13)4-5-23(15)19(26)10-16-20-17(11-18(25)21-16)22-6-8-27-9-7-22/h1-3,16-17,20,24H,4-12H2,(H,21,25).
What are the key properties of 2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 374.44 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 75306142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).