[2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone

C26H30N2O6 — CID 123397590

IUPAC[2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2c(C(=O)c3ccc(C)cc3)c(O)c(O)n2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C26H30N2O6/c1-17-4-6-18(7-5-17)24(29)22-23(20-9-8-19(32-2)16-21(20)33-3)28(26(31)25(22)30)11-10-27-12-14-34-15-13-27/h4-9,16,30-31H,10-15H2,1-3H3
InChIKeyUEMIUIUMKZFNRO-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.46
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone

[2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone (PubChem CID 123397590) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone
PubChem CID123397590
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name[2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2c(C(=O)c3ccc(C)cc3)c(O)c(O)n2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C26H30N2O6/c1-17-4-6-18(7-5-17)24(29)22-23(20-9-8-19(32-2)16-21(20)33-3)28(26(31)25(22)30)11-10-27-12-14-34-15-13-27/h4-9,16,30-31H,10-15H2,1-3H3
InChIKeyUEMIUIUMKZFNRO-UHFFFAOYSA-N
XLogP3.46
TPSA93.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3727459
5-(2,4-dimethoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4751062
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
(5S)-5-(2,4-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 1071579
4-[3-(2,5-dimethoxyphenyl)-3-(4-methylphenoxy)propyl]morpholine
CID 42867915
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 42758958
(2,5-dimethoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 23913459
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
(5R)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 1071582
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
[3-(4-methoxybenzoyl)-1-(2-morpholin-4-ylethyl)indol-2-yl]methanesulfonic acid;hydrate
CID 139640512

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone (CID 123397590) is [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone is COc1ccc(-c2c(C(=O)c3ccc(C)cc3)c(O)c(O)n2CCN2CCOCC2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone?
The InChIKey is UEMIUIUMKZFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-17-4-6-18(7-5-17)24(29)22-23(20-9-8-19(32-2)16-21(20)33-3)28(26(31)25(22)30)11-10-27-12-14-34-15-13-27/h4-9,16,30-31H,10-15H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone?
[2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone has a molecular weight of 466.53 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-4,5-dihydroxy-1-(2-morpholin-4-ylethyl)pyrrol-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 123397590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).