8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline

C20H14FNS — CID 68899590

IUPAC8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline
SMILESCc1cc(-c2ccccc2)nc2c(F)c(-c3cccs3)ccc12
InChIInChI=1S/C20H14FNS/c1-13-12-17(14-6-3-2-4-7-14)22-20-15(13)9-10-16(19(20)21)18-8-5-11-23-18/h2-12H,1H3
InChIKeyKRPGMJFTNNNBAM-UHFFFAOYSA-N
MW319.40 g/mol
LogP6.08
Rot. Bonds2

About 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline

8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline (PubChem CID 68899590) has the molecular formula C20H14FNS and a molecular weight of 319.40 g/mol. Its IUPAC name is 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline.

Molecular Properties

Compound Name8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline
PubChem CID68899590
Molecular FormulaC20H14FNS
Molecular Weight319.40 g/mol
Exact Mass319.08
IUPAC Name8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline
SMILESCc1cc(-c2ccccc2)nc2c(F)c(-c3cccs3)ccc12
InChIInChI=1S/C20H14FNS/c1-13-12-17(14-6-3-2-4-7-14)22-20-15(13)9-10-16(19(20)21)18-8-5-11-23-18/h2-12H,1H3
InChIKeyKRPGMJFTNNNBAM-UHFFFAOYSA-N
XLogP6.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline 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 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline?
The IUPAC name of 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline (CID 68899590) is 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline.
What is the SMILES notation for 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline?
The canonical SMILES for 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline is Cc1cc(-c2ccccc2)nc2c(F)c(-c3cccs3)ccc12.
What is the InChIKey of 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline?
The InChIKey is KRPGMJFTNNNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNS/c1-13-12-17(14-6-3-2-4-7-14)22-20-15(13)9-10-16(19(20)21)18-8-5-11-23-18/h2-12H,1H3.
What are the key properties of 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline?
8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline has a molecular weight of 319.40 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-2-phenyl-7-thiophen-2-ylquinoline is sourced from PubChem (CID 68899590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).