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

C24H27FN4O3 — CID 76534614

IUPAC2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2c3ccccc3CC2c2ccc(F)cc2)N1
InChIInChI=1S/C24H27FN4O3/c25-18-7-5-16(6-8-18)20-13-17-3-1-2-4-19(17)29(20)24(31)14-21-26-22(15-23(30)27-21)28-9-11-32-12-10-28/h1-8,20-22,26H,9-15H2,(H,27,30)
InChIKeyJBDMVPQHHYTZQZ-UHFFFAOYSA-N
MW438.50 g/mol
LogP1.94
Rot. Bonds4

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

2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 76534614) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID76534614
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESO=C1CC(N2CCOCC2)NC(CC(=O)N2c3ccccc3CC2c2ccc(F)cc2)N1
InChIInChI=1S/C24H27FN4O3/c25-18-7-5-16(6-8-18)20-13-17-3-1-2-4-19(17)29(20)24(31)14-21-26-22(15-23(30)27-21)28-9-11-32-12-10-28/h1-8,20-22,26H,9-15H2,(H,27,30)
InChIKeyJBDMVPQHHYTZQZ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648411
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648409
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648410
N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 11270795
2-[2-(4-fluoro-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 136041792
2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyrimidin-4-one
CID 136041805
US9133168, Example 17c
CID 76528812
US9133168, Example 37c
CID 77462142
(2R)-2-benzyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-4-(morpholin-4-yl)-4-oxobutanamide
CID 23648365
3-(2-Fluoro-phenyl)-1-(8-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-(2-morpholin-4-yl-ethyl)-urea
CID 648009
1-(6-Ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(4-fluoro-phenyl)-1-(3-morpholin-4-yl-propyl)-urea
CID 652189
N-(1-(4-fluorophenyl)ethyl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44577006

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 76534614) is 2-[2-[2-(4-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-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is O=C1CC(N2CCOCC2)NC(CC(=O)N2c3ccccc3CC2c2ccc(F)cc2)N1.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is JBDMVPQHHYTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c25-18-7-5-16(6-8-18)20-13-17-3-1-2-4-19(17)29(20)24(31)14-21-26-22(15-23(30)27-21)28-9-11-32-12-10-28/h1-8,20-22,26H,9-15H2,(H,27,30).
What are the key properties of 2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-[2-(4-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 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 76534614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).