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

C21H23N3O2 — CID 110102712

IUPAC3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
SMILESCc1cc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)ccn1
InChIInChI=1S/C21H23N3O2/c1-15-12-16(8-9-22-15)20-14-24(10-11-26-20)21(25)7-6-17-13-23-19-5-3-2-4-18(17)19/h2-5,8-9,12-13,20,23H,6-7,10-11,14H2,1H3
InChIKeyQVSITANJQHIYDR-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.40
Rot. Bonds4

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

3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one (PubChem CID 110102712) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
PubChem CID110102712
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
SMILESCc1cc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)ccn1
InChIInChI=1S/C21H23N3O2/c1-15-12-16(8-9-22-15)20-14-24(10-11-26-20)21(25)7-6-17-13-23-19-5-3-2-4-18(17)19/h2-5,8-9,12-13,20,23H,6-7,10-11,14H2,1H3
InChIKeyQVSITANJQHIYDR-UHFFFAOYSA-N
XLogP3.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
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4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
3-(1H-indol-3-yl)-1-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124993957
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
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
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
1-[(2R)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 129457839

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one (CID 110102712) is 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one is Cc1cc(C2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)ccn1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
The InChIKey is QVSITANJQHIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-12-16(8-9-22-15)20-14-24(10-11-26-20)21(25)7-6-17-13-23-19-5-3-2-4-18(17)19/h2-5,8-9,12-13,20,23H,6-7,10-11,14H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110102712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).