4-(4-carboxyquinolin-2-yl)phenolate

C16H10NO3- — CID 135399143

IUPAC4-(4-carboxyquinolin-2-yl)phenolate
SMILESO=C(O)c1cc(-c2ccc([O-])cc2)nc2ccccc12
InChIInChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)17-15/h1-9,18H,(H,19,20)/p-1
InChIKeyKXZJHVJKXJLBKO-UHFFFAOYSA-M
MW264.26 g/mol
LogP2.67
Rot. Bonds2

About 4-(4-carboxyquinolin-2-yl)phenolate

4-(4-carboxyquinolin-2-yl)phenolate (PubChem CID 135399143) has the molecular formula C16H10NO3- and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(4-carboxyquinolin-2-yl)phenolate.

Molecular Properties

Compound Name4-(4-carboxyquinolin-2-yl)phenolate
PubChem CID135399143
Molecular FormulaC16H10NO3-
Molecular Weight264.26 g/mol
Exact Mass264.07
IUPAC Name4-(4-carboxyquinolin-2-yl)phenolate
SMILESO=C(O)c1cc(-c2ccc([O-])cc2)nc2ccccc12
InChIInChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)17-15/h1-9,18H,(H,19,20)/p-1
InChIKeyKXZJHVJKXJLBKO-UHFFFAOYSA-M
XLogP2.67
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
CID 87530134
CID 87530134
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyquinolin-2-yl)phenolate?
The IUPAC name of 4-(4-carboxyquinolin-2-yl)phenolate (CID 135399143) is 4-(4-carboxyquinolin-2-yl)phenolate.
What is the SMILES notation for 4-(4-carboxyquinolin-2-yl)phenolate?
The canonical SMILES for 4-(4-carboxyquinolin-2-yl)phenolate is O=C(O)c1cc(-c2ccc([O-])cc2)nc2ccccc12.
What is the InChIKey of 4-(4-carboxyquinolin-2-yl)phenolate?
The InChIKey is KXZJHVJKXJLBKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)17-15/h1-9,18H,(H,19,20)/p-1.
What are the key properties of 4-(4-carboxyquinolin-2-yl)phenolate?
4-(4-carboxyquinolin-2-yl)phenolate has a molecular weight of 264.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxyquinolin-2-yl)phenolate is sourced from PubChem (CID 135399143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).