4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one

C19H19NO5Se — CID 155526181

IUPAC4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one
SMILESCOc1cc(-c2cc(=O)[nH]c3c(O)c(OC)ccc23)cc([Se]C)c1OC
InChIInChI=1S/C19H19NO5Se/c1-23-13-6-5-11-12(9-16(21)20-17(11)18(13)22)10-7-14(24-2)19(25-3)15(8-10)26-4/h5-9,22H,1-4H3,(H,20,21)
InChIKeyPZRMIOXLVSVUPV-UHFFFAOYSA-N
MW420.32 g/mol
LogP2.30
Rot. Bonds5

About 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one

4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one (PubChem CID 155526181) has the molecular formula C19H19NO5Se and a molecular weight of 420.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one
PubChem CID155526181
Molecular FormulaC19H19NO5Se
Molecular Weight420.32 g/mol
Exact Mass421.04
IUPAC Name4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one
SMILESCOc1cc(-c2cc(=O)[nH]c3c(O)c(OC)ccc23)cc([Se]C)c1OC
InChIInChI=1S/C19H19NO5Se/c1-23-13-6-5-11-12(9-16(21)20-17(11)18(13)22)10-7-14(24-2)19(25-3)15(8-10)26-4/h5-9,22H,1-4H3,(H,20,21)
InChIKeyPZRMIOXLVSVUPV-UHFFFAOYSA-N
XLogP2.30
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one (CID 155526181) is 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one is COc1cc(-c2cc(=O)[nH]c3c(O)c(OC)ccc23)cc([Se]C)c1OC.
What is the InChIKey of 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one?
The InChIKey is PZRMIOXLVSVUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5Se/c1-23-13-6-5-11-12(9-16(21)20-17(11)18(13)22)10-7-14(24-2)19(25-3)15(8-10)26-4/h5-9,22H,1-4H3,(H,20,21).
What are the key properties of 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one?
4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one has a molecular weight of 420.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxy-5-methylselanylphenyl)-8-hydroxy-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 155526181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).