3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid

C22H15NO4 — CID 14498175

IUPAC3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26)
InChIKeyDOKWWDZGRNLEEJ-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.10
Rot. Bonds4

About 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid

3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 14498175) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
PubChem CID14498175
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC Name3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26)
InChIKeyDOKWWDZGRNLEEJ-UHFFFAOYSA-N
XLogP5.10
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
(3-hydroxy-2-phenylquinolin-4-yl)-phenylmethanone
CID 132540835
2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
CID 7097759
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
2-(4-methoxyphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643832
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
CID 14498162
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 4134698

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (CID 14498175) is 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is DOKWWDZGRNLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26).
What are the key properties of 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 14498175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).