sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid

C23H16NNaO5 — CID 23709621

IUPACsodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C16H11NO2.C7H6O3.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;8-6-4-2-1-3-5(6)7(9)10;/h1-10H,(H,18,19);1-4,8H,(H,9,10);/q;;+1/p-1
InChIKeyCUFVINTYJGLAQV-UHFFFAOYSA-M
MW409.37 g/mol
LogP0.36
Rot. Bonds3

About sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid

sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid (PubChem CID 23709621) has the molecular formula C23H16NNaO5 and a molecular weight of 409.37 g/mol. Its IUPAC name is sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Namesodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid
PubChem CID23709621
Molecular FormulaC23H16NNaO5
Molecular Weight409.37 g/mol
Exact Mass409.09
IUPAC Namesodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C16H11NO2.C7H6O3.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;8-6-4-2-1-3-5(6)7(9)10;/h1-10H,(H,18,19);1-4,8H,(H,9,10);/q;;+1/p-1
InChIKeyCUFVINTYJGLAQV-UHFFFAOYSA-M
XLogP0.36
TPSA110.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid?
The IUPAC name of sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid (CID 23709621) is sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1ccccc1O.[Na+].
What is the InChIKey of sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid?
The InChIKey is CUFVINTYJGLAQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11NO2.C7H6O3.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;8-6-4-2-1-3-5(6)7(9)10;/h1-10H,(H,18,19);1-4,8H,(H,9,10);/q;;+1/p-1.
What are the key properties of sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid?
sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid has a molecular weight of 409.37 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxybenzoate;2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 23709621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).