methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate

C12H9F3N2O2 — CID 177288235

IUPACmethyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c2nc(N)ccc12
InChIInChI=1S/C12H9F3N2O2/c1-19-11(18)7-2-4-8(12(13,14)15)10-6(7)3-5-9(16)17-10/h2-5H,1H3,(H2,16,17)
InChIKeyDSAGXFJITUPVCT-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.62
Rot. Bonds1

About methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate

methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate (PubChem CID 177288235) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate
PubChem CID177288235
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Namemethyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c2nc(N)ccc12
InChIInChI=1S/C12H9F3N2O2/c1-19-11(18)7-2-4-8(12(13,14)15)10-6(7)3-5-9(16)17-10/h2-5H,1H3,(H2,16,17)
InChIKeyDSAGXFJITUPVCT-UHFFFAOYSA-N
XLogP2.62
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 3-chloro-2-fluoro-4-(trifluoromethyl)benzoate
CID 134646250
methyl 2-iodo-3,4-bis(trifluoromethyl)benzoate
CID 134638396
methyl 3-iodo-2,4-bis(trifluoromethyl)benzoate
CID 134638367
methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate
CID 166067686
methyl 2-(trifluoromethyl)benzoate
CID 2775578
methyl 2-bromo-3-chloro-4-(trifluoromethyl)benzoate
CID 170996074
methyl 6-amino-2-nitropyridine-3-carboxylate
CID 150527246
methyl 2-methoxy-8-methylquinoline-5-carboxylate
CID 86241626
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 2-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
CID 117246678
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 171028893

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate?
The IUPAC name of methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate (CID 177288235) is methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate.
What is the SMILES notation for methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate?
The canonical SMILES for methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate is COC(=O)c1ccc(C(F)(F)F)c2nc(N)ccc12.
What is the InChIKey of methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate?
The InChIKey is DSAGXFJITUPVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-19-11(18)7-2-4-8(12(13,14)15)10-6(7)3-5-9(16)17-10/h2-5H,1H3,(H2,16,17).
What are the key properties of methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate?
methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate has a molecular weight of 270.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate is sourced from PubChem (CID 177288235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).