10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol

C17H11FN2O6 — CID 155384922

IUPAC10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cc(O)c4c(c23)OCCO4)c(F)c1
InChIInChI=1S/C17H11FN2O6/c18-10-7-9(20(22)23)1-2-13(10)26-14-3-4-19-11-8-12(21)16-17(15(11)14)25-6-5-24-16/h1-4,7-8,21H,5-6H2
InChIKeyIGYKAWAHUBRJHO-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.55
Rot. Bonds3

About 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol

10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol (PubChem CID 155384922) has the molecular formula C17H11FN2O6 and a molecular weight of 358.28 g/mol. Its IUPAC name is 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol.

Molecular Properties

Compound Name10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol
PubChem CID155384922
Molecular FormulaC17H11FN2O6
Molecular Weight358.28 g/mol
Exact Mass358.06
IUPAC Name10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cc(O)c4c(c23)OCCO4)c(F)c1
InChIInChI=1S/C17H11FN2O6/c18-10-7-9(20(22)23)1-2-13(10)26-14-3-4-19-11-8-12(21)16-17(15(11)14)25-6-5-24-16/h1-4,7-8,21H,5-6H2
InChIKeyIGYKAWAHUBRJHO-UHFFFAOYSA-N
XLogP3.55
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;10-chloro-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]aniline;10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol;10-(2-fluoro-4-nitrophenoxy)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;10-(2-fluoro-4-nitrophenoxy)-5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline;hydride;oxido formate;dihydrobromide
CID 163810875
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
6-chloro-4-(2-fluoro-4-nitrophenoxy)-1,7-naphthyridine
CID 156871736
CID 89281854
CID 89281854
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
2-[[10-(2-fluoro-4-methylphenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-yl]oxy]acetonitrile
CID 163627379
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632

Frequently Asked Questions

What is the IUPAC name of 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol?
The IUPAC name of 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol (CID 155384922) is 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol.
What is the SMILES notation for 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol?
The canonical SMILES for 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol is O=[N+]([O-])c1ccc(Oc2ccnc3cc(O)c4c(c23)OCCO4)c(F)c1.
What is the InChIKey of 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol?
The InChIKey is IGYKAWAHUBRJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O6/c18-10-7-9(20(22)23)1-2-13(10)26-14-3-4-19-11-8-12(21)16-17(15(11)14)25-6-5-24-16/h1-4,7-8,21H,5-6H2.
What are the key properties of 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol?
10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol has a molecular weight of 358.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-fluoro-4-nitrophenoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-5-ol is sourced from PubChem (CID 155384922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).