6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one

C19H10N6O6 — CID 54710283

IUPAC6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
SMILES[N-]=[N+]=Nc1ccc2oc(=O)c(Cc3c(O)c4cc(N=[N+]=[N-])ccc4oc3=O)c(O)c2c1
InChIInChI=1S/C19H10N6O6/c20-24-22-8-1-3-14-10(5-8)16(26)12(18(28)30-14)7-13-17(27)11-6-9(23-25-21)2-4-15(11)31-19(13)29/h1-6,26-27H,7H2
InChIKeyZQCRZCHXMUEPRA-UHFFFAOYSA-N
MW418.33 g/mol
LogP4.78
Rot. Bonds4

About 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one

6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one (PubChem CID 54710283) has the molecular formula C19H10N6O6 and a molecular weight of 418.33 g/mol. Its IUPAC name is 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
PubChem CID54710283
Molecular FormulaC19H10N6O6
Molecular Weight418.33 g/mol
Exact Mass418.07
IUPAC Name6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
SMILES[N-]=[N+]=Nc1ccc2oc(=O)c(Cc3c(O)c4cc(N=[N+]=[N-])ccc4oc3=O)c(O)c2c1
InChIInChI=1S/C19H10N6O6/c20-24-22-8-1-3-14-10(5-8)16(26)12(18(28)30-14)7-13-17(27)11-6-9(23-25-21)2-4-15(11)31-19(13)29/h1-6,26-27H,7H2
InChIKeyZQCRZCHXMUEPRA-UHFFFAOYSA-N
XLogP4.78
TPSA198.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-aminophenoxy)propyl]-4-hydroxy-2H-chromen-2-one
CID 54684771
7-hydroxy-4-methyl-6-[(E)-phenyldiazenyl]-2H-chromen-2-one
CID 135436035
Dicoumarol derivative, 8
CID 54734093
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ester with 5-aminocoumarin
CID 200656
6-amino-4-hydroxy-2H-chromen-2-one
CID 54690216
3-(4-Azidobenzyl)-4-hydroxycoumarin
CID 54697847
Azidowarfarin
CID 54695507
4-Hydroxy-3-(2-(4-methoxyphenyl)diazenyl)-2H-1-benzopyran-2-one
CID 135666650
6-((2-Fluoro-4-hydroxyphenyl)diazenyl)-7-hydroxy-4-methyl-2h-chromen-2-one
CID 155908541
3-(4'-Fluorophenylhydrazono)-2,4-chromandione
CID 156613214
6-[(Z)-phenyldiazenyl]-2H-chromen-2-one
CID 3827928
2H-1-Benzopyran-2-one, 4-hydroxy-3-(phenylazo)-
CID 135535934

Frequently Asked Questions

What is the IUPAC name of 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one?
The IUPAC name of 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one (CID 54710283) is 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one?
The canonical SMILES for 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one is [N-]=[N+]=Nc1ccc2oc(=O)c(Cc3c(O)c4cc(N=[N+]=[N-])ccc4oc3=O)c(O)c2c1.
What is the InChIKey of 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one?
The InChIKey is ZQCRZCHXMUEPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N6O6/c20-24-22-8-1-3-14-10(5-8)16(26)12(18(28)30-14)7-13-17(27)11-6-9(23-25-21)2-4-15(11)31-19(13)29/h1-6,26-27H,7H2.
What are the key properties of 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one?
6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one has a molecular weight of 418.33 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-3-[(6-azido-4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 54710283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).