7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline

C16H10BrN3S — CID 162750467

IUPAC7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline
SMILESBrc1ccc2c(-n3ccnc3)cc(-c3cccs3)nc2c1
InChIInChI=1S/C16H10BrN3S/c17-11-3-4-12-13(8-11)19-14(16-2-1-7-21-16)9-15(12)20-6-5-18-10-20/h1-10H
InChIKeyNXZQDTYAPRUUNR-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.91
Rot. Bonds2

About 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline

7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline (PubChem CID 162750467) has the molecular formula C16H10BrN3S and a molecular weight of 356.25 g/mol. Its IUPAC name is 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline
PubChem CID162750467
Molecular FormulaC16H10BrN3S
Molecular Weight356.25 g/mol
Exact Mass354.98
IUPAC Name7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline
SMILESBrc1ccc2c(-n3ccnc3)cc(-c3cccs3)nc2c1
InChIInChI=1S/C16H10BrN3S/c17-11-3-4-12-13(8-11)19-14(16-2-1-7-21-16)9-15(12)20-6-5-18-10-20/h1-10H
InChIKeyNXZQDTYAPRUUNR-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline?
The IUPAC name of 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline (CID 162750467) is 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline.
What is the SMILES notation for 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline?
The canonical SMILES for 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline is Brc1ccc2c(-n3ccnc3)cc(-c3cccs3)nc2c1.
What is the InChIKey of 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline?
The InChIKey is NXZQDTYAPRUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3S/c17-11-3-4-12-13(8-11)19-14(16-2-1-7-21-16)9-15(12)20-6-5-18-10-20/h1-10H.
What are the key properties of 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline?
7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline has a molecular weight of 356.25 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-imidazol-1-yl-2-thiophen-2-ylquinoline is sourced from PubChem (CID 162750467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).