5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione

C23H20FNO7 — CID 142008657

IUPAC5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
SMILESCC(O)C(O)C(O)C(F)COc1c(O)c2c(c3cccnc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H20FNO7/c1-10(26)18(27)21(30)14(24)9-32-23-17-13(7-4-8-25-17)15-16(22(23)31)20(29)12-6-3-2-5-11(12)19(15)28/h2-8,10,14,18,21,26-27,30-31H,9H2,1H3
InChIKeyJESLVAHNDXJCHH-UHFFFAOYSA-N
MW441.41 g/mol
LogP1.54
Rot. Bonds6

About 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione

5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione (PubChem CID 142008657) has the molecular formula C23H20FNO7 and a molecular weight of 441.41 g/mol. Its IUPAC name is 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione.

Molecular Properties

Compound Name5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
PubChem CID142008657
Molecular FormulaC23H20FNO7
Molecular Weight441.41 g/mol
Exact Mass441.12
IUPAC Name5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
SMILESCC(O)C(O)C(O)C(F)COc1c(O)c2c(c3cccnc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H20FNO7/c1-10(26)18(27)21(30)14(24)9-32-23-17-13(7-4-8-25-17)15-16(22(23)31)20(29)12-6-3-2-5-11(12)19(15)28/h2-8,10,14,18,21,26-27,30-31H,9H2,1H3
InChIKeyJESLVAHNDXJCHH-UHFFFAOYSA-N
XLogP1.54
TPSA137.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione with MolForge

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Related Compounds

6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione
CID 142008654
6-hydroxy-5-[(3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]oxynaphtho[2,3-f]quinoline-7,12-dione
CID 142008672
5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
CID 142008684
5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione
CID 135703653
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
1-amino-3-ethoxy-4-hydroxy-2-methoxyanthracene-9,10-dione
CID 70603510
anthracene-9,10-diol;anthracene-9,10-dione
CID 88635748
tris(5,7-dinaphthalen-1-ylquinolin-8-ol);dioxotungsten
CID 160626714
1,4-dihydroxy-2,3-bis(hydroxysulfanylmethyl)anthracene-9,10-dione
CID 162488178
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
2,3-diamino-1,4-dihydroxyanthracene-9,10-dione
CID 15840020
5-(difluoromethyl)-7-nitroquinolin-8-ol
CID 171471368

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
The IUPAC name of 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione (CID 142008657) is 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione.
What is the SMILES notation for 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
The canonical SMILES for 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione is CC(O)C(O)C(O)C(F)COc1c(O)c2c(c3cccnc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
The InChIKey is JESLVAHNDXJCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO7/c1-10(26)18(27)21(30)14(24)9-32-23-17-13(7-4-8-25-17)15-16(22(23)31)20(29)12-6-3-2-5-11(12)19(15)28/h2-8,10,14,18,21,26-27,30-31H,9H2,1H3.
What are the key properties of 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione has a molecular weight of 441.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione is sourced from PubChem (CID 142008657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).