4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide

C23H17NO6 — CID 10834993

IUPAC4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(C(=O)c2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1
InChIInChI=1S/C23H17NO6/c1-24(30)23(29)13-7-5-12(6-8-13)20(26)16-10-9-15-11-14-3-2-4-17(25)18(14)22(28)19(15)21(16)27/h2-10,25,27,30H,11H2,1H3
InChIKeyUOTGLGVNKQTLOF-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.93
Rot. Bonds3

About 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide

4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide (PubChem CID 10834993) has the molecular formula C23H17NO6 and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide
PubChem CID10834993
Molecular FormulaC23H17NO6
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC Name4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(C(=O)c2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1
InChIInChI=1S/C23H17NO6/c1-24(30)23(29)13-7-5-12(6-8-13)20(26)16-10-9-15-11-14-3-2-4-17(25)18(14)22(28)19(15)21(16)27/h2-10,25,27,30H,11H2,1H3
InChIKeyUOTGLGVNKQTLOF-UHFFFAOYSA-N
XLogP2.93
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide?
The IUPAC name of 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide (CID 10834993) is 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide is CN(O)C(=O)c1ccc(C(=O)c2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1.
What is the InChIKey of 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide?
The InChIKey is UOTGLGVNKQTLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO6/c1-24(30)23(29)13-7-5-12(6-8-13)20(26)16-10-9-15-11-14-3-2-4-17(25)18(14)22(28)19(15)21(16)27/h2-10,25,27,30H,11H2,1H3.
What are the key properties of 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide?
4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide has a molecular weight of 403.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-dihydroxy-9-oxo-10H-anthracene-2-carbonyl)-N-hydroxy-N-methylbenzamide is sourced from PubChem (CID 10834993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).