3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione

C25H16FNO6 — CID 59241685

IUPAC3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc2c3oc(=O)c(Oc4ccccc4F)c(O)c3c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H16FNO6/c1-31-15-11-12-16-18(13-15)27(14-7-3-2-4-8-14)24(29)20-21(28)23(25(30)33-22(16)20)32-19-10-6-5-9-17(19)26/h2-13,28H,1H3
InChIKeyPBZNOHCCIIFPJZ-UHFFFAOYSA-N
MW445.40 g/mol
LogP4.74
Rot. Bonds4

About 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione

3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione (PubChem CID 59241685) has the molecular formula C25H16FNO6 and a molecular weight of 445.40 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
PubChem CID59241685
Molecular FormulaC25H16FNO6
Molecular Weight445.40 g/mol
Exact Mass445.10
IUPAC Name3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
SMILESCOc1ccc2c3oc(=O)c(Oc4ccccc4F)c(O)c3c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C25H16FNO6/c1-31-15-11-12-16-18(13-15)27(14-7-3-2-4-8-14)24(29)20-21(28)23(25(30)33-22(16)20)32-19-10-6-5-9-17(19)26/h2-13,28H,1H3
InChIKeyPBZNOHCCIIFPJZ-UHFFFAOYSA-N
XLogP4.74
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
CID 59240966
4-hydroxy-3-(3-hydroxyphenyl)sulfanyl-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione
CID 59240844
3-(2-fluorophenyl)sulfanyl-4-hydroxy-8-(3-morpholin-4-ylpropoxy)-6-phenylpyrano[3,2-c]quinoline-2,5-dione
CID 145494627
3-(3-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)pyrano[3,2-c]quinoline-2,5-dione
CID 59241153
methyl 3-(4-hydroxy-2,5-dioxo-6-phenylpyrano[3,2-c]quinolin-3-yl)sulfanylbenzoate
CID 59241481
4-[7-(2-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 157266952
methyl 2-[3-(4-hydroxy-2,5-dioxo-6-phenylpyrano[3,2-c]quinolin-3-yl)sulfanylphenoxy]acetate
CID 59241024
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
3-(4-fluorophenyl)sulfanyl-4-hydroxy-6-(4-methoxyphenyl)-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59241003
6-hydroxy-14-methoxy-5-(3-methoxyphenyl)sulfanyl-9-phenyl-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),5,11(16),12,14-hexaene-4,8-dione
CID 59241327
3,9-dimethoxy-5-methyl-[1]benzofuro[3,2-c]quinolin-6-one
CID 2794540
1,2,4-trihydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936005

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione (CID 59241685) is 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione is COc1ccc2c3oc(=O)c(Oc4ccccc4F)c(O)c3c(=O)n(-c3ccccc3)c2c1.
What is the InChIKey of 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is PBZNOHCCIIFPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FNO6/c1-31-15-11-12-16-18(13-15)27(14-7-3-2-4-8-14)24(29)20-21(28)23(25(30)33-22(16)20)32-19-10-6-5-9-17(19)26/h2-13,28H,1H3.
What are the key properties of 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione?
3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 445.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-4-hydroxy-8-methoxy-6-phenylpyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 59241685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).