3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one

C24H16N4O6 — CID 54070991

IUPAC3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCOc1ncnc(Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)n1
InChIInChI=1S/C24H16N4O6/c1-32-23-26-11-25-22(28-23)27-12-2-5-16-15(8-12)21(31)34-24(16)17-6-3-13(29)9-19(17)33-20-10-14(30)4-7-18(20)24/h2-11,29-30H,1H3,(H,25,26,27,28)
InChIKeyUBEDKGLMIKBATR-UHFFFAOYSA-N
MW456.41 g/mol
LogP3.60
Rot. Bonds3

About 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one

3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 54070991) has the molecular formula C24H16N4O6 and a molecular weight of 456.41 g/mol. Its IUPAC name is 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID54070991
Molecular FormulaC24H16N4O6
Molecular Weight456.41 g/mol
Exact Mass456.11
IUPAC Name3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCOc1ncnc(Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)n1
InChIInChI=1S/C24H16N4O6/c1-32-23-26-11-25-22(28-23)27-12-2-5-16-15(8-12)21(31)34-24(16)17-6-3-13(29)9-19(17)33-20-10-14(30)4-7-18(20)24/h2-11,29-30H,1H3,(H,25,26,27,28)
InChIKeyUBEDKGLMIKBATR-UHFFFAOYSA-N
XLogP3.60
TPSA135.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.41
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one with MolForge

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Related Compounds

6-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 100914472
6-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 100914473
5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;hydrochloride
CID 70700350
2-[4-[[4-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]phenyl]-4-[di(propan-2-yl)amino]-2-pyridin-2-ylbutanamide
CID 70473009
N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)ethanethioamide
CID 21279228
[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]phosphonic acid
CID 174824643
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-(3,5-dimethylphenyl)thiourea
CID 11813225
3',6'-dihydroxy-6-methylsulfanylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 167023672
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
6-(benzo[f][1,3]benzoxazol-2-ylamino)-3'-hydroxy-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 163681251
N'-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-2-iodoacetohydrazide
CID 174917065
N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)propanethioamide;2-methylpropane
CID 177203630

Frequently Asked Questions

What is the IUPAC name of 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one (CID 54070991) is 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one is COc1ncnc(Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)n1.
What is the InChIKey of 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is UBEDKGLMIKBATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O6/c1-32-23-26-11-25-22(28-23)27-12-2-5-16-15(8-12)21(31)34-24(16)17-6-3-13(29)9-19(17)33-20-10-14(30)4-7-18(20)24/h2-11,29-30H,1H3,(H,25,26,27,28).
What are the key properties of 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one?
3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 456.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dihydroxy-6-[(4-methoxy-1,3,5-triazin-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 54070991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).