4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid

C17H10ClN3O2S — CID 162750674

IUPAC4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)cs1
InChIInChI=1S/C17H10ClN3O2S/c18-11-1-2-12-14(6-11)20-13(7-15(12)21-4-3-19-9-21)10-5-16(17(22)23)24-8-10/h1-9H,(H,22,23)
InChIKeyVMTUNDYZSMOCDG-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.50
Rot. Bonds3

About 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid

4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid (PubChem CID 162750674) has the molecular formula C17H10ClN3O2S and a molecular weight of 355.81 g/mol. Its IUPAC name is 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid
PubChem CID162750674
Molecular FormulaC17H10ClN3O2S
Molecular Weight355.81 g/mol
Exact Mass355.02
IUPAC Name4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)cs1
InChIInChI=1S/C17H10ClN3O2S/c18-11-1-2-12-14(6-11)20-13(7-15(12)21-4-3-19-9-21)10-5-16(17(22)23)24-8-10/h1-9H,(H,22,23)
InChIKeyVMTUNDYZSMOCDG-UHFFFAOYSA-N
XLogP4.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid (CID 162750674) is 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2cc(-n3ccnc3)c3ccc(Cl)cc3n2)cs1.
What is the InChIKey of 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid?
The InChIKey is VMTUNDYZSMOCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2S/c18-11-1-2-12-14(6-11)20-13(7-15(12)21-4-3-19-9-21)10-5-16(17(22)23)24-8-10/h1-9H,(H,22,23).
What are the key properties of 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid?
4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid has a molecular weight of 355.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-imidazol-1-ylquinolin-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 162750674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).