2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid

C25H10Cl8N2O4 — CID 58152932

IUPAC2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid
SMILESO=C(Nc1cccc2ccc(CC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)O)nc12)c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C25H10Cl8N2O4/c26-11-7-10(16(27)20(31)17(11)28)24(37)35-12-3-1-2-8-4-5-9(34-23(8)12)6-13(36)14-15(25(38)39)19(30)22(33)21(32)18(14)29/h1-5,7H,6H2,(H,35,37)(H,38,39)
InChIKeyAMJPDVGILSJIKV-UHFFFAOYSA-N
MW685.99 g/mol
LogP9.84
Rot. Bonds6

About 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid

2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid (PubChem CID 58152932) has the molecular formula C25H10Cl8N2O4 and a molecular weight of 685.99 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid
PubChem CID58152932
Molecular FormulaC25H10Cl8N2O4
Molecular Weight685.99 g/mol
Exact Mass681.81
IUPAC Name2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid
SMILESO=C(Nc1cccc2ccc(CC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)O)nc12)c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C25H10Cl8N2O4/c26-11-7-10(16(27)20(31)17(11)28)24(37)35-12-3-1-2-8-4-5-9(34-23(8)12)6-13(36)14-15(25(38)39)19(30)22(33)21(32)18(14)29/h1-5,7H,6H2,(H,35,37)(H,38,39)
InChIKeyAMJPDVGILSJIKV-UHFFFAOYSA-N
XLogP9.84
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.99
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid?
The IUPAC name of 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid (CID 58152932) is 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid?
The canonical SMILES for 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid is O=C(Nc1cccc2ccc(CC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)O)nc12)c1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid?
The InChIKey is AMJPDVGILSJIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H10Cl8N2O4/c26-11-7-10(16(27)20(31)17(11)28)24(37)35-12-3-1-2-8-4-5-9(34-23(8)12)6-13(36)14-15(25(38)39)19(30)22(33)21(32)18(14)29/h1-5,7H,6H2,(H,35,37)(H,38,39).
What are the key properties of 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid?
2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid has a molecular weight of 685.99 g/mol, XLogP of 9.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-[2-[8-[(2,3,4,5-tetrachlorobenzoyl)amino]quinolin-2-yl]acetyl]benzoic acid is sourced from PubChem (CID 58152932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).