5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid

C21H16ClN3O3 — CID 162750155

IUPAC5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid
SMILESCCOc1ccc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)cc1C(=O)O
InChIInChI=1S/C21H16ClN3O3/c1-2-28-20-6-3-13(9-16(20)21(26)27)17-11-19(25-8-7-23-12-25)15-5-4-14(22)10-18(15)24-17/h3-12H,2H2,1H3,(H,26,27)
InChIKeyWHXHAFVECOFFJT-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.84
Rot. Bonds5

About 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid

5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid (PubChem CID 162750155) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid.

Molecular Properties

Compound Name5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid
PubChem CID162750155
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid
SMILESCCOc1ccc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)cc1C(=O)O
InChIInChI=1S/C21H16ClN3O3/c1-2-28-20-6-3-13(9-16(20)21(26)27)17-11-19(25-8-7-23-12-25)15-5-4-14(22)10-18(15)24-17/h3-12H,2H2,1H3,(H,26,27)
InChIKeyWHXHAFVECOFFJT-UHFFFAOYSA-N
XLogP4.84
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid?
The IUPAC name of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid (CID 162750155) is 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid.
What is the SMILES notation for 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid?
The canonical SMILES for 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid is CCOc1ccc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)cc1C(=O)O.
What is the InChIKey of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid?
The InChIKey is WHXHAFVECOFFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-2-28-20-6-3-13(9-16(20)21(26)27)17-11-19(25-8-7-23-12-25)15-5-4-14(22)10-18(15)24-17/h3-12H,2H2,1H3,(H,26,27).
What are the key properties of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid?
5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid has a molecular weight of 393.83 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-ethoxybenzoic acid is sourced from PubChem (CID 162750155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).