3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline

C14H8BrF2NOS — CID 135371831

IUPAC3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline
SMILESCc1nc2c(F)c(F)ccc2cc1Oc1sccc1Br
InChIInChI=1S/C14H8BrF2NOS/c1-7-11(19-14-9(15)4-5-20-14)6-8-2-3-10(16)12(17)13(8)18-7/h2-6H,1H3
InChIKeySDIRMZPRQNPIDE-UHFFFAOYSA-N
MW356.19 g/mol
LogP5.44
Rot. Bonds2

About 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline

3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline (PubChem CID 135371831) has the molecular formula C14H8BrF2NOS and a molecular weight of 356.19 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline
PubChem CID135371831
Molecular FormulaC14H8BrF2NOS
Molecular Weight356.19 g/mol
Exact Mass354.95
IUPAC Name3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline
SMILESCc1nc2c(F)c(F)ccc2cc1Oc1sccc1Br
InChIInChI=1S/C14H8BrF2NOS/c1-7-11(19-14-9(15)4-5-20-14)6-8-2-3-10(16)12(17)13(8)18-7/h2-6H,1H3
InChIKeySDIRMZPRQNPIDE-UHFFFAOYSA-N
XLogP5.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.19
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline?
The IUPAC name of 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline (CID 135371831) is 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline?
The canonical SMILES for 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline is Cc1nc2c(F)c(F)ccc2cc1Oc1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline?
The InChIKey is SDIRMZPRQNPIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NOS/c1-7-11(19-14-9(15)4-5-20-14)6-8-2-3-10(16)12(17)13(8)18-7/h2-6H,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline?
3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline has a molecular weight of 356.19 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)oxy-7,8-difluoro-2-methylquinoline is sourced from PubChem (CID 135371831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).