3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

C19H22N4O2 — CID 155899693

IUPAC3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)[nH]1
InChIInChI=1S/C19H22N4O2/c1-13-10-21-19(22-13)17-12-23(8-9-25-17)18(24)7-6-14-11-20-16-5-3-2-4-15(14)16/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,21,22)
InChIKeyNRJAFPHUQSJQCB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.73
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 155899693) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID155899693
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cnc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)[nH]1
InChIInChI=1S/C19H22N4O2/c1-13-10-21-19(22-13)17-12-23(8-9-25-17)18(24)7-6-14-11-20-16-5-3-2-4-15(14)16/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,21,22)
InChIKeyNRJAFPHUQSJQCB-UHFFFAOYSA-N
XLogP2.73
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124960617
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124973725
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
1-[(2R)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 129457839
3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124993957
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (CID 155899693) is 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is Cc1cnc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is NRJAFPHUQSJQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-10-21-19(22-13)17-12-23(8-9-25-17)18(24)7-6-14-11-20-16-5-3-2-4-15(14)16/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,21,22).
What are the key properties of 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 155899693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).