methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate

C16H14FN3O2S — CID 167751141

IUPACmethyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(F)ccc2nc1N(C)Cc1cscn1
InChIInChI=1S/C16H14FN3O2S/c1-20(7-12-8-23-9-18-12)15-13(16(21)22-2)6-10-5-11(17)3-4-14(10)19-15/h3-6,8-9H,7H2,1-2H3
InChIKeyRIXIONURXLRXIQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.25
Rot. Bonds4

About methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate

methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate (PubChem CID 167751141) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate
PubChem CID167751141
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Namemethyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(F)ccc2nc1N(C)Cc1cscn1
InChIInChI=1S/C16H14FN3O2S/c1-20(7-12-8-23-9-18-12)15-13(16(21)22-2)6-10-5-11(17)3-4-14(10)19-15/h3-6,8-9H,7H2,1-2H3
InChIKeyRIXIONURXLRXIQ-UHFFFAOYSA-N
XLogP3.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate 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 methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate?
The IUPAC name of methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate (CID 167751141) is methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate is COC(=O)c1cc2cc(F)ccc2nc1N(C)Cc1cscn1.
What is the InChIKey of methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate?
The InChIKey is RIXIONURXLRXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-20(7-12-8-23-9-18-12)15-13(16(21)22-2)6-10-5-11(17)3-4-14(10)19-15/h3-6,8-9H,7H2,1-2H3.
What are the key properties of methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate?
methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 167751141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).