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

C27H19NO6 — CID 14842373

IUPAC4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)c2o1
InChIInChI=1S/C27H19NO6/c29-24-14-25(27(30)31)34-26-18(5-3-6-22(24)26)15-32-20-10-12-21(13-11-20)33-16-19-9-8-17-4-1-2-7-23(17)28-19/h1-14H,15-16H2,(H,30,31)
InChIKeyAKVLJGLFZQOKEL-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.20
Rot. Bonds7

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

4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid (PubChem CID 14842373) has the molecular formula C27H19NO6 and a molecular weight of 453.45 g/mol. Its IUPAC name is 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid
PubChem CID14842373
Molecular FormulaC27H19NO6
Molecular Weight453.45 g/mol
Exact Mass453.12
IUPAC Name4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)c2o1
InChIInChI=1S/C27H19NO6/c29-24-14-25(27(30)31)34-26-18(5-3-6-22(24)26)15-32-20-10-12-21(13-11-20)33-16-19-9-8-17-4-1-2-7-23(17)28-19/h1-14H,15-16H2,(H,30,31)
InChIKeyAKVLJGLFZQOKEL-UHFFFAOYSA-N
XLogP5.20
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-oxo-8-[[4-(2-quinolin-2-ylethoxy)phenoxy]methyl]chromene-2-carboxylate
CID 67903375
4-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10574284
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57041875
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
3-(2-aminoethoxy)-4-oxo-2-[4-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid
CID 10504961
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807

Frequently Asked Questions

What is the IUPAC name of 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid?
The IUPAC name of 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid (CID 14842373) is 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid.
What is the SMILES notation for 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid?
The canonical SMILES for 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid is O=C(O)c1cc(=O)c2cccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)c2o1.
What is the InChIKey of 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid?
The InChIKey is AKVLJGLFZQOKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO6/c29-24-14-25(27(30)31)34-26-18(5-3-6-22(24)26)15-32-20-10-12-21(13-11-20)33-16-19-9-8-17-4-1-2-7-23(17)28-19/h1-14H,15-16H2,(H,30,31).
What are the key properties of 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid?
4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid has a molecular weight of 453.45 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]chromene-2-carboxylic acid is sourced from PubChem (CID 14842373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).