ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate

C18H14F3N3O2 — CID 10021473

IUPACethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc3ccccc23)c(C(F)(F)F)nc1N
InChIInChI=1S/C18H14F3N3O2/c1-2-26-17(25)13-9-12(15(18(19,20)21)24-16(13)22)10-7-8-23-14-6-4-3-5-11(10)14/h3-9H,2H2,1H3,(H2,22,24)
InChIKeyTUQXXIWTVBMWSS-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.07
Rot. Bonds3

About ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10021473) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10021473
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Nameethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnc3ccccc23)c(C(F)(F)F)nc1N
InChIInChI=1S/C18H14F3N3O2/c1-2-26-17(25)13-9-12(15(18(19,20)21)24-16(13)22)10-7-8-23-14-6-4-3-5-11(10)14/h3-9H,2H2,1H3,(H2,22,24)
InChIKeyTUQXXIWTVBMWSS-UHFFFAOYSA-N
XLogP4.07
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 10021473) is ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(-c2ccnc3ccccc23)c(C(F)(F)F)nc1N.
What is the InChIKey of ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is TUQXXIWTVBMWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-2-26-17(25)13-9-12(15(18(19,20)21)24-16(13)22)10-7-8-23-14-6-4-3-5-11(10)14/h3-9H,2H2,1H3,(H2,22,24).
What are the key properties of ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 361.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-quinolin-4-yl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10021473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).