sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate

C23H14ClN2NaO3 — CID 66680788

IUPACsodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(-c2cccc3cccnc23)c1.[Na+]
InChIInChI=1S/C23H15ClN2O3.Na/c24-17-9-10-20(19(13-17)23(28)29)26-22(27)16-6-1-5-15(12-16)18-8-2-4-14-7-3-11-25-21(14)18;/h1-13H,(H,26,27)(H,28,29);/q;+1/p-1
InChIKeyXLKSSQSEKINKCE-UHFFFAOYSA-M
MW424.82 g/mol
LogP1.17
Rot. Bonds4

About sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate

sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate (PubChem CID 66680788) has the molecular formula C23H14ClN2NaO3 and a molecular weight of 424.82 g/mol. Its IUPAC name is sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namesodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate
PubChem CID66680788
Molecular FormulaC23H14ClN2NaO3
Molecular Weight424.82 g/mol
Exact Mass424.06
IUPAC Namesodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(-c2cccc3cccnc23)c1.[Na+]
InChIInChI=1S/C23H15ClN2O3.Na/c24-17-9-10-20(19(13-17)23(28)29)26-22(27)16-6-1-5-15(12-16)18-8-2-4-14-7-3-11-25-21(14)18;/h1-13H,(H,26,27)(H,28,29);/q;+1/p-1
InChIKeyXLKSSQSEKINKCE-UHFFFAOYSA-M
XLogP1.17
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.82
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate?
The IUPAC name of sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate (CID 66680788) is sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate.
What is the SMILES notation for sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate?
The canonical SMILES for sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate is O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(-c2cccc3cccnc23)c1.[Na+].
What is the InChIKey of sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate?
The InChIKey is XLKSSQSEKINKCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15ClN2O3.Na/c24-17-9-10-20(19(13-17)23(28)29)26-22(27)16-6-1-5-15(12-16)18-8-2-4-14-7-3-11-25-21(14)18;/h1-13H,(H,26,27)(H,28,29);/q;+1/p-1.
What are the key properties of sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate?
sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate has a molecular weight of 424.82 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-chloro-2-[(3-quinolin-8-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 66680788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).