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

C21H16ClN3O4 — CID 162750219

IUPAC5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid
SMILESO=C(O)c1cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)ccc1OCCO
InChIInChI=1S/C21H16ClN3O4/c22-14-2-3-15-18(10-14)24-17(11-19(15)25-6-5-23-12-25)13-1-4-20(29-8-7-26)16(9-13)21(27)28/h1-6,9-12,26H,7-8H2,(H,27,28)
InChIKeyURVNIWKFSQYMAO-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.81
Rot. Bonds6

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

5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid (PubChem CID 162750219) has the molecular formula C21H16ClN3O4 and a molecular weight of 409.83 g/mol. Its IUPAC name is 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid.

Molecular Properties

Compound Name5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid
PubChem CID162750219
Molecular FormulaC21H16ClN3O4
Molecular Weight409.83 g/mol
Exact Mass409.08
IUPAC Name5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid
SMILESO=C(O)c1cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)ccc1OCCO
InChIInChI=1S/C21H16ClN3O4/c22-14-2-3-15-18(10-14)24-17(11-19(15)25-6-5-23-12-25)13-1-4-20(29-8-7-26)16(9-13)21(27)28/h1-6,9-12,26H,7-8H2,(H,27,28)
InChIKeyURVNIWKFSQYMAO-UHFFFAOYSA-N
XLogP3.81
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid?
The IUPAC name of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid (CID 162750219) is 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid.
What is the SMILES notation for 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid?
The canonical SMILES for 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid is O=C(O)c1cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)ccc1OCCO.
What is the InChIKey of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid?
The InChIKey is URVNIWKFSQYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O4/c22-14-2-3-15-18(10-14)24-17(11-19(15)25-6-5-23-12-25)13-1-4-20(29-8-7-26)16(9-13)21(27)28/h1-6,9-12,26H,7-8H2,(H,27,28).
What are the key properties of 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid?
5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid has a molecular weight of 409.83 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-2-(2-hydroxyethoxy)benzoic acid is sourced from PubChem (CID 162750219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).