6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione

C24H23NO8 — CID 142008654

IUPAC6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione
SMILESCOC(COc1c(O)c2c(c3cccnc13)C(=O)c1ccccc1C2=O)C(O)C(O)C(C)O
InChIInChI=1S/C24H23NO8/c1-11(26)19(27)22(30)15(32-2)10-33-24-18-14(8-5-9-25-18)16-17(23(24)31)21(29)13-7-4-3-6-12(13)20(16)28/h3-9,11,15,19,22,26-27,30-31H,10H2,1-2H3
InChIKeyCBTOITWVBSCAHK-UHFFFAOYSA-N
MW453.45 g/mol
LogP1.21
Rot. Bonds7

About 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione

6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione (PubChem CID 142008654) has the molecular formula C24H23NO8 and a molecular weight of 453.45 g/mol. Its IUPAC name is 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione
PubChem CID142008654
Molecular FormulaC24H23NO8
Molecular Weight453.45 g/mol
Exact Mass453.14
IUPAC Name6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione
SMILESCOC(COc1c(O)c2c(c3cccnc13)C(=O)c1ccccc1C2=O)C(O)C(O)C(C)O
InChIInChI=1S/C24H23NO8/c1-11(26)19(27)22(30)15(32-2)10-33-24-18-14(8-5-9-25-18)16-17(23(24)31)21(29)13-7-4-3-6-12(13)20(16)28/h3-9,11,15,19,22,26-27,30-31H,10H2,1-2H3
InChIKeyCBTOITWVBSCAHK-UHFFFAOYSA-N
XLogP1.21
TPSA146.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione?
The IUPAC name of 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione (CID 142008654) is 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione.
What is the SMILES notation for 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione?
The canonical SMILES for 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione is COC(COc1c(O)c2c(c3cccnc13)C(=O)c1ccccc1C2=O)C(O)C(O)C(C)O.
What is the InChIKey of 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione?
The InChIKey is CBTOITWVBSCAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO8/c1-11(26)19(27)22(30)15(32-2)10-33-24-18-14(8-5-9-25-18)16-17(23(24)31)21(29)13-7-4-3-6-12(13)20(16)28/h3-9,11,15,19,22,26-27,30-31H,10H2,1-2H3.
What are the key properties of 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione?
6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione has a molecular weight of 453.45 g/mol, XLogP of 1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3,4,5-trihydroxy-2-methoxyhexoxy)naphtho[2,3-f]quinoline-7,12-dione is sourced from PubChem (CID 142008654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).