4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol

C14H10BrNOS — CID 44552504

IUPAC4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol
SMILESCc1ccc2nc(-c3cccs3)c(O)c(Br)c2c1
InChIInChI=1S/C14H10BrNOS/c1-8-4-5-10-9(7-8)12(15)14(17)13(16-10)11-3-2-6-18-11/h2-7,17H,1H3
InChIKeyVEVTWQKRACTGQF-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.74
Rot. Bonds1

About 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol

4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol (PubChem CID 44552504) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol.

Molecular Properties

Compound Name4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol
PubChem CID44552504
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol
SMILESCc1ccc2nc(-c3cccs3)c(O)c(Br)c2c1
InChIInChI=1S/C14H10BrNOS/c1-8-4-5-10-9(7-8)12(15)14(17)13(16-10)11-3-2-6-18-11/h2-7,17H,1H3
InChIKeyVEVTWQKRACTGQF-UHFFFAOYSA-N
XLogP4.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol?
The IUPAC name of 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol (CID 44552504) is 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol.
What is the SMILES notation for 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol?
The canonical SMILES for 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol is Cc1ccc2nc(-c3cccs3)c(O)c(Br)c2c1.
What is the InChIKey of 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol?
The InChIKey is VEVTWQKRACTGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-8-4-5-10-9(7-8)12(15)14(17)13(16-10)11-3-2-6-18-11/h2-7,17H,1H3.
What are the key properties of 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol?
4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol has a molecular weight of 320.21 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-2-thiophen-2-ylquinolin-3-ol is sourced from PubChem (CID 44552504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).