1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one

C29H24N2O3 — CID 139790629

IUPAC1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCNc1cccc(C)c1Nc1cccc2c1C1(OC(=O)c3ccccc31)c1ccccc1O2
InChIInChI=1S/C29H24N2O3/c1-3-30-23-15-8-10-18(2)27(23)31-22-14-9-17-25-26(22)29(21-13-6-7-16-24(21)33-25)20-12-5-4-11-19(20)28(32)34-29/h4-17,30-31H,3H2,1-2H3
InChIKeyULOFAVNFAGBTKF-UHFFFAOYSA-N
MW448.52 g/mol
LogP6.74
Rot. Bonds4

About 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one

1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139790629) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139790629
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCNc1cccc(C)c1Nc1cccc2c1C1(OC(=O)c3ccccc31)c1ccccc1O2
InChIInChI=1S/C29H24N2O3/c1-3-30-23-15-8-10-18(2)27(23)31-22-14-9-17-25-26(22)29(21-13-6-7-16-24(21)33-25)20-12-5-4-11-19(20)28(32)34-29/h4-17,30-31H,3H2,1-2H3
InChIKeyULOFAVNFAGBTKF-UHFFFAOYSA-N
XLogP6.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408754
7'-amino-1'-(2,4-dimethyl-3-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727163
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134
1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727146
7'-amino-1'-(2-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727183
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
7'-amino-1'-(4-chloro-2-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727157
7'-amino-1'-(2,4-diethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727154
6'-(diethylamino)-1'-(2-fluoroanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139769566
1'-(2-ethyl-4-methylanilino)-5'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727144
2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139663204

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139790629) is 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one is CCNc1cccc(C)c1Nc1cccc2c1C1(OC(=O)c3ccccc31)c1ccccc1O2.
What is the InChIKey of 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is ULOFAVNFAGBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c1-3-30-23-15-8-10-18(2)27(23)31-22-14-9-17-25-26(22)29(21-13-6-7-16-24(21)33-25)20-12-5-4-11-19(20)28(32)34-29/h4-17,30-31H,3H2,1-2H3.
What are the key properties of 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 448.52 g/mol, XLogP of 6.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139790629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).