3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid

C20H14ClN3O3 — CID 162751512

IUPAC3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)c1
InChIInChI=1S/C20H14ClN3O3/c1-27-15-7-12(6-13(8-15)20(25)26)17-10-19(24-5-4-22-11-24)16-3-2-14(21)9-18(16)23-17/h2-11H,1H3,(H,25,26)
InChIKeyZKWAZHBUDWMRSQ-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.45
Rot. Bonds4

About 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid

3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid (PubChem CID 162751512) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid
PubChem CID162751512
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)c1
InChIInChI=1S/C20H14ClN3O3/c1-27-15-7-12(6-13(8-15)20(25)26)17-10-19(24-5-4-22-11-24)16-3-2-14(21)9-18(16)23-17/h2-11H,1H3,(H,25,26)
InChIKeyZKWAZHBUDWMRSQ-UHFFFAOYSA-N
XLogP4.45
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid?
The IUPAC name of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid (CID 162751512) is 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)c1.
What is the InChIKey of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid?
The InChIKey is ZKWAZHBUDWMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-27-15-7-12(6-13(8-15)20(25)26)17-10-19(24-5-4-22-11-24)16-3-2-14(21)9-18(16)23-17/h2-11H,1H3,(H,25,26).
What are the key properties of 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid?
3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid has a molecular weight of 379.80 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-4-imidazol-1-ylquinolin-2-yl)-5-methoxybenzoic acid is sourced from PubChem (CID 162751512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).