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

C24H27FN4O3 — CID 76534589

IUPAC2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(-c4ccccc4F)cccc32)N1
InChIInChI=1S/C24H27FN4O3/c25-19-6-2-1-4-17(19)16-5-3-7-20-18(16)8-9-29(20)24(31)14-21-26-22(15-23(30)27-21)28-10-12-32-13-11-28/h1-7,21-22,26H,8-15H2,(H,27,30)
InChIKeyHWIWGHFWAOWOCT-UHFFFAOYSA-N
MW438.50 g/mol
LogP1.87
Rot. Bonds4

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

2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 76534589) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID76534589
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(-c4ccccc4F)cccc32)N1
InChIInChI=1S/C24H27FN4O3/c25-19-6-2-1-4-17(19)16-5-3-7-20-18(16)8-9-29(20)24(31)14-21-26-22(15-23(30)27-21)28-10-12-32-13-11-28/h1-7,21-22,26H,8-15H2,(H,27,30)
InChIKeyHWIWGHFWAOWOCT-UHFFFAOYSA-N
XLogP1.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(morpholin-4-yl)-2-[2-oxo-2-(4-phenyl-2,3-dihydro-1H-indol-1-yl)ethyl]pyrimidin-4(3H)-one
CID 136069599
US9133168, Example 17c
CID 76528812
N-[4-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510105
N-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510152
N-[4-({benzyl[3-(morpholin-4-yl)propyl]amino}methyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510187
N-[4-[2-[benzyl(3-morpholin-4-ylpropyl)amino]ethyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510455
N-[4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57510571
1-(6-benzyl-3,3-dimethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 70981854
N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305830
N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305855
N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305859
N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305885

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 76534589) is 2-[2-[4-(2-fluorophenyl)-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-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is O=C1CC(N2CCOCC2)NC(CC(=O)N2CCc3c(-c4ccccc4F)cccc32)N1.
What is the InChIKey of 2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is HWIWGHFWAOWOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c25-19-6-2-1-4-17(19)16-5-3-7-20-18(16)8-9-29(20)24(31)14-21-26-22(15-23(30)27-21)28-10-12-32-13-11-28/h1-7,21-22,26H,8-15H2,(H,27,30).
What are the key properties of 2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 438.50 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 76534589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).