(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone

C22H26N2O4 — CID 11955633

IUPAC(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(N4CCOCC4)cc3C2)c(O)cc1O
InChIInChI=1S/C22H26N2O4/c1-14(2)18-10-19(21(26)11-20(18)25)22(27)24-12-15-3-4-17(9-16(15)13-24)23-5-7-28-8-6-23/h3-4,9-11,14,25-26H,5-8,12-13H2,1-2H3
InChIKeyLUCGOGCKXFESLJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.21
Rot. Bonds3

About (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone

(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 11955633) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
PubChem CID11955633
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)c1cc(C(=O)N2Cc3ccc(N4CCOCC4)cc3C2)c(O)cc1O
InChIInChI=1S/C22H26N2O4/c1-14(2)18-10-19(21(26)11-20(18)25)22(27)24-12-15-3-4-17(9-16(15)13-24)23-5-7-28-8-6-23/h3-4,9-11,14,25-26H,5-8,12-13H2,1-2H3
InChIKeyLUCGOGCKXFESLJ-UHFFFAOYSA-N
XLogP3.21
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2,4-Dihydroxy-5-isopropyl-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-di-hydro-isoindol-2-yl]-methanone
CID 11955634
(2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-hydroxy-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone
CID 11955673
(2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-[(1-methylpiperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]methanone
CID 11955721
(2,4-Dihydroxy-5-propan-2-ylphenyl)-(5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)methanone
CID 11955764
(2,4-Dihydroxy-5-isopropylphenyl)[5-[(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]methanone
CID 11955766
(2,4-Dihydroxy-5-propan-2-ylphenyl)-[4-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]methanone
CID 24891721
(2,4-Dihydroxy-5-isopropylphenyl)[5-[(morpholin-4-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone hydrochloride
CID 66672602
1,3-Dihydroisoindol-2-yl-[2,4-dihydroxy-5-(4-methylanilino)phenyl]methanone
CID 90656487
N-[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)-2,3-dihydroindol-5-yl]-N'-hydroxyheptanediamide
CID 145982499
N-[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)-2,3-dihydroindol-5-yl]-N'-hydroxypentanediamide
CID 145983267
N-[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)-2,3-dihydroindol-5-yl]-N'-hydroxybutanediamide
CID 145983616
4-[[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)-2,3-dihydroindol-5-yl]amino]methyl]-N-hydroxybenzamide
CID 145983813

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone (CID 11955633) is (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone is CC(C)c1cc(C(=O)N2Cc3ccc(N4CCOCC4)cc3C2)c(O)cc1O.
What is the InChIKey of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is LUCGOGCKXFESLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14(2)18-10-19(21(26)11-20(18)25)22(27)24-12-15-3-4-17(9-16(15)13-24)23-5-7-28-8-6-23/h3-4,9-11,14,25-26H,5-8,12-13H2,1-2H3.
What are the key properties of (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 382.46 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-5-propan-2-ylphenyl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 11955633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).