[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone

C25H30N2O4 — CID 11836828

IUPAC[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)c3cc(C)ccc3n2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C25H30N2O4/c1-17-4-9-23-22(14-17)18(2)24(25(29)19-5-7-21(30-3)8-6-19)27(23)16-20(28)15-26-10-12-31-13-11-26/h4-9,14,20,28H,10-13,15-16H2,1-3H3
InChIKeySWMHBPGXLQZCIH-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.19
Rot. Bonds7

About [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone

[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 11836828) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
PubChem CID11836828
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(C)c3cc(C)ccc3n2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C25H30N2O4/c1-17-4-9-23-22(14-17)18(2)24(25(29)19-5-7-21(30-3)8-6-19)27(23)16-20(28)15-26-10-12-31-13-11-26/h4-9,14,20,28H,10-13,15-16H2,1-3H3
InChIKeySWMHBPGXLQZCIH-UHFFFAOYSA-N
XLogP3.19
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

[1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone
CID 1208359
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
1-piperidin-1-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 5235423
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
2-(morpholin-4-ylmethyl)-3-(2,3,5-trimethylindol-1-yl)propanenitrile
CID 167707740
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089151
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 1089152
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
(4-methoxyphenyl)-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]methanone
CID 3771354
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone (CID 11836828) is [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(C)c3cc(C)ccc3n2CC(O)CN2CCOCC2)cc1.
What is the InChIKey of [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is SWMHBPGXLQZCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17-4-9-23-22(14-17)18(2)24(25(29)19-5-7-21(30-3)8-6-19)27(23)16-20(28)15-26-10-12-31-13-11-26/h4-9,14,20,28H,10-13,15-16H2,1-3H3.
What are the key properties of [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone?
[1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 422.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-3-morpholin-4-ylpropyl)-3,5-dimethylindol-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11836828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).