2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide

C17H14ClNO5 — CID 6226184

IUPAC2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1
InChIInChI=1S/C17H14ClNO5/c1-19(2)15(21)8-23-10-6-12(20)16-14(7-10)24-13-5-9(18)3-4-11(13)17(16)22/h3-7,20H,8H2,1-2H3
InChIKeyDAJGCOUHPBVIKM-UHFFFAOYSA-N
MW347.75 g/mol
LogP2.77
Rot. Bonds3

About 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide

2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide (PubChem CID 6226184) has the molecular formula C17H14ClNO5 and a molecular weight of 347.75 g/mol. Its IUPAC name is 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide
PubChem CID6226184
Molecular FormulaC17H14ClNO5
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1
InChIInChI=1S/C17H14ClNO5/c1-19(2)15(21)8-23-10-6-12(20)16-14(7-10)24-13-5-9(18)3-4-11(13)17(16)22/h3-7,20H,8H2,1-2H3
InChIKeyDAJGCOUHPBVIKM-UHFFFAOYSA-N
XLogP2.77
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-hydroxy-3-[(2S)-3-oxobutan-2-yl]oxyxanthen-9-one
CID 7641535
1-hydroxy-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]xanthen-9-one iodide
CID 118713872
3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
CID 6226763
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
1,5-dihydroxy-3-methoxyxanthen-9-one
CID 5281651
ethyl 7-chloro-4-hydroxy-2-oxochromene-3-carboxylate
CID 54734584
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
methyl 2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxyacetate
CID 44592398
1,8-dihydroxy-3-(3-hydroxybutoxy)xanthen-9-one
CID 86054399
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
1-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]xanthen-9-one
CID 53305863

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide?
The IUPAC name of 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide (CID 6226184) is 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1.
What is the InChIKey of 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide?
The InChIKey is DAJGCOUHPBVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5/c1-19(2)15(21)8-23-10-6-12(20)16-14(7-10)24-13-5-9(18)3-4-11(13)17(16)22/h3-7,20H,8H2,1-2H3.
What are the key properties of 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide?
2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide has a molecular weight of 347.75 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-hydroxy-9-oxoxanthen-3-yl)oxy-N,N-dimethylacetamide is sourced from PubChem (CID 6226184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).