sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

C23H15ClNNaO2 — CID 23673409

IUPACsodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc(Cl)c2c1C(=O)[O-].[Na+]
InChIInChI=1S/C23H16ClNO2.Na/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15;/h2-13H,1H3,(H,26,27);/q;+1/p-1
InChIKeyWTMIOIPTEMJARD-UHFFFAOYSA-M
MW395.82 g/mol
LogP1.90
Rot. Bonds3

About sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate (PubChem CID 23673409) has the molecular formula C23H15ClNNaO2 and a molecular weight of 395.82 g/mol. Its IUPAC name is sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate
PubChem CID23673409
Molecular FormulaC23H15ClNNaO2
Molecular Weight395.82 g/mol
Exact Mass395.07
IUPAC Namesodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc(Cl)c2c1C(=O)[O-].[Na+]
InChIInChI=1S/C23H16ClNO2.Na/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15;/h2-13H,1H3,(H,26,27);/q;+1/p-1
InChIKeyWTMIOIPTEMJARD-UHFFFAOYSA-M
XLogP1.90
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate?
The IUPAC name of sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate (CID 23673409) is sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate?
The canonical SMILES for sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate is Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc(Cl)c2c1C(=O)[O-].[Na+].
What is the InChIKey of sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate?
The InChIKey is WTMIOIPTEMJARD-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H16ClNO2.Na/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15;/h2-13H,1H3,(H,26,27);/q;+1/p-1.
What are the key properties of sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate?
sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate has a molecular weight of 395.82 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 23673409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).