1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one

C24H22N2O2 — CID 150728002

IUPAC1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one
SMILESCCNc1c(C)ccc2c1C1(NC(=O)c3ccccc31)c1cc(C)ccc1O2
InChIInChI=1S/C24H22N2O2/c1-4-25-22-15(3)10-12-20-21(22)24(18-13-14(2)9-11-19(18)28-20)17-8-6-5-7-16(17)23(27)26-24/h5-13,25H,4H2,1-3H3,(H,26,27)
InChIKeyJRFWZJMNMCDXFA-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.88
Rot. Bonds2

About 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one

1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one (PubChem CID 150728002) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one
PubChem CID150728002
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one
SMILESCCNc1c(C)ccc2c1C1(NC(=O)c3ccccc31)c1cc(C)ccc1O2
InChIInChI=1S/C24H22N2O2/c1-4-25-22-15(3)10-12-20-21(22)24(18-13-14(2)9-11-19(18)28-20)17-8-6-5-7-16(17)23(27)26-24/h5-13,25H,4H2,1-3H3,(H,26,27)
InChIKeyJRFWZJMNMCDXFA-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1',2'-bis(diethylamino)spiro[2H-isoindole-3,9'-xanthene]-1-one
CID 175720235
1'-anilinospiro[2H-isoindole-3,9'-xanthene]-1-one
CID 175263364
1'-[2-(ethylamino)-6-methylanilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139790629
3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2H-isoindol-1-one
CID 70289948
N-ethyl-2,7-dimethyl-9H-xanthen-1-amine
CID 174503774
4-(2,5-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408753
2'-(4-methylphenyl)-3'-phenylspiro[2H-isoindole-3,1'-indene]-1-one
CID 141452538
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
3-ethyl-3-hydroxy-5-methyl-2H-isoindol-1-one
CID 123342063
4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70425072
7'-amino-1'-(2,4-dimethyl-3-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727163

Frequently Asked Questions

What is the IUPAC name of 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one?
The IUPAC name of 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one (CID 150728002) is 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one.
What is the SMILES notation for 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one?
The canonical SMILES for 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one is CCNc1c(C)ccc2c1C1(NC(=O)c3ccccc31)c1cc(C)ccc1O2.
What is the InChIKey of 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one?
The InChIKey is JRFWZJMNMCDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-4-25-22-15(3)10-12-20-21(22)24(18-13-14(2)9-11-19(18)28-20)17-8-6-5-7-16(17)23(27)26-24/h5-13,25H,4H2,1-3H3,(H,26,27).
What are the key properties of 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one?
1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one has a molecular weight of 370.45 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(ethylamino)-2',7'-dimethylspiro[2H-isoindole-3,9'-xanthene]-1-one is sourced from PubChem (CID 150728002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).