2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one

C24H20ClNO3 — CID 14177672

IUPAC2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCN(C)c1ccc2c(c1)Oc1ccc(Cl)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C24H20ClNO3/c1-3-12-26(2)16-9-10-19-22(14-16)28-21-11-8-15(25)13-20(21)24(19)18-7-5-4-6-17(18)23(27)29-24/h4-11,13-14H,3,12H2,1-2H3
InChIKeyRJEUDRXPENPFFJ-UHFFFAOYSA-N
MW405.88 g/mol
LogP5.75
Rot. Bonds3

About 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one

2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 14177672) has the molecular formula C24H20ClNO3 and a molecular weight of 405.88 g/mol. Its IUPAC name is 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID14177672
Molecular FormulaC24H20ClNO3
Molecular Weight405.88 g/mol
Exact Mass405.11
IUPAC Name2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCN(C)c1ccc2c(c1)Oc1ccc(Cl)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C24H20ClNO3/c1-3-12-26(2)16-9-10-19-22(14-16)28-21-11-8-15(25)13-20(21)24(19)18-7-5-4-6-17(18)23(27)29-24/h4-11,13-14H,3,12H2,1-2H3
InChIKeyRJEUDRXPENPFFJ-UHFFFAOYSA-N
XLogP5.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 14177672) is 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one is CCCN(C)c1ccc2c(c1)Oc1ccc(Cl)cc1C21OC(=O)c2ccccc21.
What is the InChIKey of 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is RJEUDRXPENPFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO3/c1-3-12-26(2)16-9-10-19-22(14-16)28-21-11-8-15(25)13-20(21)24(19)18-7-5-4-6-17(18)23(27)29-24/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 405.88 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-6'-[methyl(propyl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 14177672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).