5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione

C23H19FN2O6 — CID 142008684

IUPAC5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
SMILESCC1OC(Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)C(F)C(O)C1N
InChIInChI=1S/C23H19FN2O6/c1-9-16(25)21(30)15(24)23(31-9)32-22-17-12(7-4-8-26-17)13-14(20(22)29)19(28)11-6-3-2-5-10(11)18(13)27/h2-9,15-16,21,23,29-30H,25H2,1H3
InChIKeyYQKAHMQLSNXVDH-UHFFFAOYSA-N
MW438.41 g/mol
LogP1.87
Rot. Bonds2

About 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione

5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione (PubChem CID 142008684) has the molecular formula C23H19FN2O6 and a molecular weight of 438.41 g/mol. Its IUPAC name is 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione.

Molecular Properties

Compound Name5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
PubChem CID142008684
Molecular FormulaC23H19FN2O6
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Name5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
SMILESCC1OC(Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)C(F)C(O)C1N
InChIInChI=1S/C23H19FN2O6/c1-9-16(25)21(30)15(24)23(31-9)32-22-17-12(7-4-8-26-17)13-14(20(22)29)19(28)11-6-3-2-5-10(11)18(13)27/h2-9,15-16,21,23,29-30H,25H2,1H3
InChIKeyYQKAHMQLSNXVDH-UHFFFAOYSA-N
XLogP1.87
TPSA131.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
The IUPAC name of 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione (CID 142008684) is 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione.
What is the SMILES notation for 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
The canonical SMILES for 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione is CC1OC(Oc2c(O)c3c(c4cccnc24)C(=O)c2ccccc2C3=O)C(F)C(O)C1N.
What is the InChIKey of 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
The InChIKey is YQKAHMQLSNXVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O6/c1-9-16(25)21(30)15(24)23(31-9)32-22-17-12(7-4-8-26-17)13-14(20(22)29)19(28)11-6-3-2-5-10(11)18(13)27/h2-9,15-16,21,23,29-30H,25H2,1H3.
What are the key properties of 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione?
5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione has a molecular weight of 438.41 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-fluoro-4-hydroxy-6-methyloxan-2-yl)oxy-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione is sourced from PubChem (CID 142008684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).