7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one

C32H30N2O3 — CID 139727134

IUPAC7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)C1(OC(=O)c3ccccc31)c1c(Nc3ccc(C)cc3C)cccc1O2
InChIInChI=1S/C32H30N2O3/c1-5-34(6-2)22-15-17-28-25(19-22)32(24-11-8-7-10-23(24)31(35)37-32)30-27(12-9-13-29(30)36-28)33-26-16-14-20(3)18-21(26)4/h7-19,33H,5-6H2,1-4H3
InChIKeyLEALSGVCWVMBDP-UHFFFAOYSA-N
MW490.60 g/mol
LogP7.46
Rot. Bonds5

About 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one

7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139727134) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139727134
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Name7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)C1(OC(=O)c3ccccc31)c1c(Nc3ccc(C)cc3C)cccc1O2
InChIInChI=1S/C32H30N2O3/c1-5-34(6-2)22-15-17-28-25(19-22)32(24-11-8-7-10-23(24)31(35)37-32)30-27(12-9-13-29(30)36-28)33-26-16-14-20(3)18-21(26)4/h7-19,33H,5-6H2,1-4H3
InChIKeyLEALSGVCWVMBDP-UHFFFAOYSA-N
XLogP7.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6'-(diethylamino)-1'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139769566
7'-amino-1'-(2-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727183
1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727146
7'-amino-1'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727176
4-(2,5-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408753
2'-(N-ethyl-2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 143856827
7'-amino-1'-(2,4-dimethyl-3-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727163
2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139663204
1'-[[1-(2,4-dimethylanilino)-2-ethylcyclopentyl]amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139719210
7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727154
(3S)-2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 86306490
1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139790629

Frequently Asked Questions

What is the IUPAC name of 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139727134) is 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is CCN(CC)c1ccc2c(c1)C1(OC(=O)c3ccccc31)c1c(Nc3ccc(C)cc3C)cccc1O2.
What is the InChIKey of 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is LEALSGVCWVMBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-5-34(6-2)22-15-17-28-25(19-22)32(24-11-8-7-10-23(24)31(35)37-32)30-27(12-9-13-29(30)36-28)33-26-16-14-20(3)18-21(26)4/h7-19,33H,5-6H2,1-4H3.
What are the key properties of 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 490.60 g/mol, XLogP of 7.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139727134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).