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

C20H27FN4O3 — CID 118988739

IUPAC6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)CC1NC(=O)CC(N2CCOC(CF)C2)N1
InChIInChI=1S/C20H27FN4O3/c1-13-8-14-4-2-3-5-16(14)25(13)20(27)9-17-22-18(10-19(26)23-17)24-6-7-28-15(11-21)12-24/h2-5,13,15,17-18,22H,6-12H2,1H3,(H,23,26)/t13-,15?,17?,18?/m0/s1
InChIKeyJIMZNSJWMLVYFJ-TXNCSXONSA-N
MW390.46 g/mol
LogP0.79
Rot. Bonds4

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

6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one (PubChem CID 118988739) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one
PubChem CID118988739
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)CC1NC(=O)CC(N2CCOC(CF)C2)N1
InChIInChI=1S/C20H27FN4O3/c1-13-8-14-4-2-3-5-16(14)25(13)20(27)9-17-22-18(10-19(26)23-17)24-6-7-28-15(11-21)12-24/h2-5,13,15,17-18,22H,6-12H2,1H3,(H,23,26)/t13-,15?,17?,18?/m0/s1
InChIKeyJIMZNSJWMLVYFJ-TXNCSXONSA-N
XLogP0.79
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one?
The IUPAC name of 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one (CID 118988739) is 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one.
What is the SMILES notation for 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one?
The canonical SMILES for 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one is C[C@H]1Cc2ccccc2N1C(=O)CC1NC(=O)CC(N2CCOC(CF)C2)N1.
What is the InChIKey of 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one?
The InChIKey is JIMZNSJWMLVYFJ-TXNCSXONSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-13-8-14-4-2-3-5-16(14)25(13)20(27)9-17-22-18(10-19(26)23-17)24-6-7-28-15(11-21)12-24/h2-5,13,15,17-18,22H,6-12H2,1H3,(H,23,26)/t13-,15?,17?,18?/m0/s1.
What are the key properties of 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one?
6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one has a molecular weight of 390.46 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)morpholin-4-yl]-2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,3-diazinan-4-one is sourced from PubChem (CID 118988739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).