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

C32H30N2O4 — CID 139647861

IUPAC6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCOc1ccccc1Nc1ccc2c(c1)C1(OC(=O)c3ccccc31)c1ccc(N(CC)CC)cc1O2
InChIInChI=1S/C32H30N2O4/c1-4-34(5-2)22-16-17-25-30(20-22)37-28-18-15-21(33-27-13-9-10-14-29(27)36-6-3)19-26(28)32(25)24-12-8-7-11-23(24)31(35)38-32/h7-20,33H,4-6H2,1-3H3
InChIKeyXUZIWQWFWMROHR-UHFFFAOYSA-N
MW506.60 g/mol
LogP7.24
Rot. Bonds7

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

6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139647861) has the molecular formula C32H30N2O4 and a molecular weight of 506.60 g/mol. Its IUPAC name is 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139647861
Molecular FormulaC32H30N2O4
Molecular Weight506.60 g/mol
Exact Mass506.22
IUPAC Name6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCOc1ccccc1Nc1ccc2c(c1)C1(OC(=O)c3ccccc31)c1ccc(N(CC)CC)cc1O2
InChIInChI=1S/C32H30N2O4/c1-4-34(5-2)22-16-17-25-30(20-22)37-28-18-15-21(33-27-13-9-10-14-29(27)36-6-3)19-26(28)32(25)24-12-8-7-11-23(24)31(35)38-32/h7-20,33H,4-6H2,1-3H3
InChIKeyXUZIWQWFWMROHR-UHFFFAOYSA-N
XLogP7.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]amino]benzoate
CID 15176948
(3S)-2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 86306490
(3S)-6'-(diethylamino)-2'-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 7360871
2'-(4-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 15597022
(3S)-2'-(3-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 40737025
3',6'-bis[4-(diethylamino)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 11422222
2'-anilino-6'-(diethylamino)-3'-iodospiro[2-benzofuran-3,9'-xanthene]-1-one
CID 140525779
ethyl 2'-anilino-6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
CID 21156051
2'-(4-acetylanilino)-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139643327
2'-(2-chloroanilino)-6'-(propylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139908252
6'-[ethyl(3-methylbutyl)amino]-2'-(4-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139620223
6'-(diethylamino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704929

Frequently Asked Questions

What is the IUPAC name of 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139647861) is 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is CCOc1ccccc1Nc1ccc2c(c1)C1(OC(=O)c3ccccc31)c1ccc(N(CC)CC)cc1O2.
What is the InChIKey of 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is XUZIWQWFWMROHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O4/c1-4-34(5-2)22-16-17-25-30(20-22)37-28-18-15-21(33-27-13-9-10-14-29(27)36-6-3)19-26(28)32(25)24-12-8-7-11-23(24)31(35)38-32/h7-20,33H,4-6H2,1-3H3.
What are the key properties of 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one?
6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 506.60 g/mol, XLogP of 7.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(diethylamino)-2'-(2-ethoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139647861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).