4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

C26H17NO5 — CID 11796528

IUPAC4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5n4)cc3)oc12
InChIInChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)5-3-6-21(25)26(29)30)17-9-12-19(13-10-17)31-15-18-11-8-16-4-1-2-7-22(16)27-18/h1-14H,15H2,(H,29,30)
InChIKeyCPQMZGGGIONSEK-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.29
Rot. Bonds5

About 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid (PubChem CID 11796528) has the molecular formula C26H17NO5 and a molecular weight of 423.42 g/mol. Its IUPAC name is 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
PubChem CID11796528
Molecular FormulaC26H17NO5
Molecular Weight423.42 g/mol
Exact Mass423.11
IUPAC Name4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5n4)cc3)oc12
InChIInChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)5-3-6-21(25)26(29)30)17-9-12-19(13-10-17)31-15-18-11-8-16-4-1-2-7-22(16)27-18/h1-14H,15H2,(H,29,30)
InChIKeyCPQMZGGGIONSEK-UHFFFAOYSA-N
XLogP5.29
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The IUPAC name of 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid (CID 11796528) is 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid.
What is the SMILES notation for 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The canonical SMILES for 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid is O=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccc5ccccc5n4)cc3)oc12.
What is the InChIKey of 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The InChIKey is CPQMZGGGIONSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)5-3-6-21(25)26(29)30)17-9-12-19(13-10-17)31-15-18-11-8-16-4-1-2-7-22(16)27-18/h1-14H,15H2,(H,29,30).
What are the key properties of 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid has a molecular weight of 423.42 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid is sourced from PubChem (CID 11796528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).