3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one

C23H26N2O4 — CID 42804608

IUPAC3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C23H26N2O4/c1-27-16-7-8-18(22(13-16)28-2)19(14-23(26)25-9-11-29-12-10-25)20-15-24-21-6-4-3-5-17(20)21/h3-8,13,15,19,24H,9-12,14H2,1-2H3
InChIKeyDWVLGKLKWLEACY-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.57
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one

3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 42804608) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID42804608
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCOCC2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C23H26N2O4/c1-27-16-7-8-18(22(13-16)28-2)19(14-23(26)25-9-11-29-12-10-25)20-15-24-21-6-4-3-5-17(20)21/h3-8,13,15,19,24H,9-12,14H2,1-2H3
InChIKeyDWVLGKLKWLEACY-UHFFFAOYSA-N
XLogP3.57
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-benzylpiperidin-1-yl)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propan-1-one
CID 93125242
1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 42802265
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 24717628
1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 42808911
(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93125259
(3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 93122110
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125251
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 93110505
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 93125254
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 9450428

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one (CID 42804608) is 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one is COc1ccc(C(CC(=O)N2CCOCC2)c2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is DWVLGKLKWLEACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-27-16-7-8-18(22(13-16)28-2)19(14-23(26)25-9-11-29-12-10-25)20-15-24-21-6-4-3-5-17(20)21/h3-8,13,15,19,24H,9-12,14H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one?
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 394.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 42804608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).