4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)

C16H11NNaO2 — CID 167996008

IUPAC—
SMILESO=C(O)c1cc(-c2ccccc2)nc2ccccc12.[Na]
InChIInChI=1S/C16H11NO2.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H,18,19);
InChIKeyPDPGLMYAZSFXJC-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.22
Rot. Bonds2

About 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)

4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1) (PubChem CID 167996008) has the molecular formula C16H11NNaO2 and a molecular weight of 272.26 g/mol.

Molecular Properties

Compound Name4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
PubChem CID167996008
Molecular FormulaC16H11NNaO2
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name—
SMILESO=C(O)c1cc(-c2ccccc2)nc2ccccc12.[Na]
InChIInChI=1S/C16H11NO2.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H,18,19);
InChIKeyPDPGLMYAZSFXJC-UHFFFAOYSA-N
XLogP3.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87730786
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2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
2-(4-acetyloxyphenyl)quinoline-4-carboxylic acid
CID 67205145

Frequently Asked Questions

What is the IUPAC name of 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)?
The IUPAC name of 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1) (CID 167996008) is not available.
What is the SMILES notation for 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)?
The canonical SMILES for 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1) is O=C(O)c1cc(-c2ccccc2)nc2ccccc12.[Na].
What is the InChIKey of 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)?
The InChIKey is PDPGLMYAZSFXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H,18,19);.
What are the key properties of 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)?
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1) has a molecular weight of 272.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1) is sourced from PubChem (CID 167996008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).