6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline

C15H14ClF2NS — CID 121385845

IUPAC6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(-c3ccc(Cl)s3)c(C(F)F)cc21
InChIInChI=1S/C15H14ClF2NS/c1-19-6-2-3-9-7-10(13-4-5-14(16)20-13)11(15(17)18)8-12(9)19/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyOKTJTDIKSZECBS-UHFFFAOYSA-N
MW313.80 g/mol
LogP5.39
Rot. Bonds2

About 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline

6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 121385845) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID121385845
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC Name6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(-c3ccc(Cl)s3)c(C(F)F)cc21
InChIInChI=1S/C15H14ClF2NS/c1-19-6-2-3-9-7-10(13-4-5-14(16)20-13)11(15(17)18)8-12(9)19/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyOKTJTDIKSZECBS-UHFFFAOYSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.80
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline (CID 121385845) is 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline is CN1CCCc2cc(-c3ccc(Cl)s3)c(C(F)F)cc21.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is OKTJTDIKSZECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c1-19-6-2-3-9-7-10(13-4-5-14(16)20-13)11(15(17)18)8-12(9)19/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline?
6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 313.80 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-7-(difluoromethyl)-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121385845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).