6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid

C27H16FNO4 — CID 10717827

IUPAC6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cc(F)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12
InChIInChI=1S/C27H16FNO4/c28-19-13-21-24(30)15-25(33-26(21)22(14-19)27(31)32)18-6-3-4-16(12-18)8-10-20-11-9-17-5-1-2-7-23(17)29-20/h1-15H,(H,31,32)/b10-8+
InChIKeyVOGZSQACUKGOTG-CSKARUKUSA-N
MW437.43 g/mol
LogP6.02
Rot. Bonds4

About 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid

6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid (PubChem CID 10717827) has the molecular formula C27H16FNO4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid
PubChem CID10717827
Molecular FormulaC27H16FNO4
Molecular Weight437.43 g/mol
Exact Mass437.11
IUPAC Name6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cc(F)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12
InChIInChI=1S/C27H16FNO4/c28-19-13-21-24(30)15-25(33-26(21)22(14-19)27(31)32)18-6-3-4-16(12-18)8-10-20-11-9-17-5-1-2-7-23(17)29-20/h1-15H,(H,31,32)/b10-8+
InChIKeyVOGZSQACUKGOTG-CSKARUKUSA-N
XLogP6.02
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.43
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid (CID 10717827) is 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid is O=C(O)c1cc(F)cc2c(=O)cc(-c3cccc(/C=C/c4ccc5ccccc5n4)c3)oc12.
What is the InChIKey of 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
The InChIKey is VOGZSQACUKGOTG-CSKARUKUSA-N. The full InChI is InChI=1S/C27H16FNO4/c28-19-13-21-24(30)15-25(33-26(21)22(14-19)27(31)32)18-6-3-4-16(12-18)8-10-20-11-9-17-5-1-2-7-23(17)29-20/h1-15H,(H,31,32)/b10-8+.
What are the key properties of 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid?
6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid has a molecular weight of 437.43 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid is sourced from PubChem (CID 10717827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).