sodium 2-phenylquinoline-4-carboxylate

C16H10NNaO2 — CID 23691042

IUPACsodium 2-phenylquinoline-4-carboxylate
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);/q;+1/p-1
InChIKeyZSOINCKGNIMAEG-UHFFFAOYSA-M
MW271.25 g/mol
LogP-0.73
Rot. Bonds2

About sodium 2-phenylquinoline-4-carboxylate

sodium 2-phenylquinoline-4-carboxylate (PubChem CID 23691042) has the molecular formula C16H10NNaO2 and a molecular weight of 271.25 g/mol. Its IUPAC name is sodium 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 2-phenylquinoline-4-carboxylate
PubChem CID23691042
Molecular FormulaC16H10NNaO2
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Namesodium 2-phenylquinoline-4-carboxylate
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);/q;+1/p-1
InChIKeyZSOINCKGNIMAEG-UHFFFAOYSA-M
XLogP-0.73
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
sodium (2-phenylquinoline-4-carbonyl)azanide
CID 140991412
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
CID 87530134
CID 87530134

Frequently Asked Questions

What is the IUPAC name of sodium 2-phenylquinoline-4-carboxylate?
The IUPAC name of sodium 2-phenylquinoline-4-carboxylate (CID 23691042) is sodium 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for sodium 2-phenylquinoline-4-carboxylate?
The canonical SMILES for sodium 2-phenylquinoline-4-carboxylate is O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Na+].
What is the InChIKey of sodium 2-phenylquinoline-4-carboxylate?
The InChIKey is ZSOINCKGNIMAEG-UHFFFAOYSA-M. 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);/q;+1/p-1.
What are the key properties of sodium 2-phenylquinoline-4-carboxylate?
sodium 2-phenylquinoline-4-carboxylate has a molecular weight of 271.25 g/mol, XLogP of -0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 23691042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).