4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

C31H28N2O3 — CID 23324293

IUPAC4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(CC)c1cc(C)c(Nc2ccccc2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H28N2O3/c1-4-33(5-2)24-19-20(3)29(32-21-13-7-6-8-14-21)28-27(24)30(34)36-31(28)22-15-9-11-17-25(22)35-26-18-12-10-16-23(26)31/h6-19,32H,4-5H2,1-3H3
InChIKeyBYOADGYEKXRMOU-UHFFFAOYSA-N
MW476.58 g/mol
LogP7.15
Rot. Bonds5

About 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 23324293) has the molecular formula C31H28N2O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID23324293
Molecular FormulaC31H28N2O3
Molecular Weight476.58 g/mol
Exact Mass476.21
IUPAC Name4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(CC)c1cc(C)c(Nc2ccccc2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H28N2O3/c1-4-33(5-2)24-19-20(3)29(32-21-13-7-6-8-14-21)28-27(24)30(34)36-31(28)22-15-9-11-17-25(22)35-26-18-12-10-16-23(26)31/h6-19,32H,4-5H2,1-3H3
InChIKeyBYOADGYEKXRMOU-UHFFFAOYSA-N
XLogP7.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-anilino-7-(cyclohexylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70501176
2'-anilino-1'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139663204
7-[2-[ethyl(pentyl)amino]-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70451828
1'-[2-(diethylamino)-4-ethylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727146
4-(4-chloroanilino)-7-(dipentylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 69490177
4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408754
4-anilino-6,7-bis[4-(dimethylamino)phenyl]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 91113716
7-bromo-5-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 68970232
4-(2,5-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408753
(3S)-2'-anilino-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 86306490
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134
7'-anilino-1'-[hexyl(methyl)amino]-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139767825

Frequently Asked Questions

What is the IUPAC name of 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 23324293) is 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is CCN(CC)c1cc(C)c(Nc2ccccc2)c2c1C(=O)OC21c2ccccc2Oc2ccccc21.
What is the InChIKey of 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is BYOADGYEKXRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O3/c1-4-33(5-2)24-19-20(3)29(32-21-13-7-6-8-14-21)28-27(24)30(34)36-31(28)22-15-9-11-17-25(22)35-26-18-12-10-16-23(26)31/h6-19,32H,4-5H2,1-3H3.
What are the key properties of 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one?
4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 476.58 g/mol, XLogP of 7.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-7-(diethylamino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 23324293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).