4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

C26H17NO5 — CID 10574284

IUPAC4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12
InChIInChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30)
InChIKeyKHHUBZJYSQUQNW-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.29
Rot. Bonds5

About 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid (PubChem CID 10574284) has the molecular formula C26H17NO5 and a molecular weight of 423.42 g/mol. Its IUPAC name is 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
PubChem CID10574284
Molecular FormulaC26H17NO5
Molecular Weight423.42 g/mol
Exact Mass423.11
IUPAC Name4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
SMILESO=C(O)c1cccc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12
InChIInChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30)
InChIKeyKHHUBZJYSQUQNW-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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Related Compounds

2-[4-(naphthalen-2-ylmethoxy)phenyl]-4-oxochromene-8-carboxylic acid
CID 10526236
4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid
CID 14842373
3-(2-aminoethoxy)-4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10504961
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
ethyl 6-bromo-4-oxo-2-[3-(quinazolin-2-ylmethoxy)phenyl]chromene-8-carboxylate
CID 10626075
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
4-oxo-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carbonitrile
CID 14842366
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
CID 70487550

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The IUPAC name of 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid (CID 10574284) is 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid.
What is the SMILES notation for 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The canonical SMILES for 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid is O=C(O)c1cccc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12.
What is the InChIKey of 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
The InChIKey is KHHUBZJYSQUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO5/c28-23-14-24(32-25-20(23)8-4-9-21(25)26(29)30)17-6-3-7-19(13-17)31-15-18-12-11-16-5-1-2-10-22(16)27-18/h1-14H,15H2,(H,29,30).
What are the key properties of 4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid?
4-oxo-2-[3-(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-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid is sourced from PubChem (CID 10574284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).