[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone

C24H21NO4 — CID 127254802

IUPAC[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1coc2ccc(O)c(CN3CCOCC3)c12
InChIInChI=1S/C24H21NO4/c26-21-7-8-22-23(19(21)14-25-9-11-28-12-10-25)20(15-29-22)24(27)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13,15,26H,9-12,14H2
InChIKeyPMAOSRMDDLMPRW-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.35
Rot. Bonds4

About [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone

[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone (PubChem CID 127254802) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone
PubChem CID127254802
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1coc2ccc(O)c(CN3CCOCC3)c12
InChIInChI=1S/C24H21NO4/c26-21-7-8-22-23(19(21)14-25-9-11-28-12-10-25)20(15-29-22)24(27)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13,15,26H,9-12,14H2
InChIKeyPMAOSRMDDLMPRW-UHFFFAOYSA-N
XLogP4.35
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone
CID 1208316
[5-hydroxy-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]-(3-methoxyphenyl)methanone
CID 127255296
[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-hydroxy-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 99997912
(2,5-dimethoxyphenyl)-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]methanone
CID 1246006
[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 26026735
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-hydroxy-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 110206741
1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
CID 53314502
2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one
CID 1426444
(3-bromophenyl)-[4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl]methanone
CID 632308
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone (CID 127254802) is [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1coc2ccc(O)c(CN3CCOCC3)c12.
What is the InChIKey of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is PMAOSRMDDLMPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-21-7-8-22-23(19(21)14-25-9-11-28-12-10-25)20(15-29-22)24(27)18-6-5-16-3-1-2-4-17(16)13-18/h1-8,13,15,26H,9-12,14H2.
What are the key properties of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone?
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 387.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 127254802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).