ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate

C13H11F3N2O3 — CID 62188335

IUPACethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC(F)(F)F)cccc2c1N
InChIInChI=1S/C13H11F3N2O3/c1-2-20-12(19)8-6-18-11-7(10(8)17)4-3-5-9(11)21-13(14,15)16/h3-6H,2H2,1H3,(H2,17,18)
InChIKeyKWGHPOKKRNGCRL-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.89
Rot. Bonds3

About ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate

ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate (PubChem CID 62188335) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
PubChem CID62188335
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Nameethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC(F)(F)F)cccc2c1N
InChIInChI=1S/C13H11F3N2O3/c1-2-20-12(19)8-6-18-11-7(10(8)17)4-3-5-9(11)21-13(14,15)16/h3-6H,2H2,1H3,(H2,17,18)
InChIKeyKWGHPOKKRNGCRL-UHFFFAOYSA-N
XLogP2.89
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
ethyl 4-(cyclopentylamino)-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 67250210
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
methyl 4-amino-8-propoxyquinoline-3-carboxylate
CID 102614773
ethyl 4-amino-8-pent-3-ynylquinoline-3-carboxylate
CID 19864271
ethyl 6-bromo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029000
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679107
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675689
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate (CID 62188335) is ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC(F)(F)F)cccc2c1N.
What is the InChIKey of ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate?
The InChIKey is KWGHPOKKRNGCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-2-20-12(19)8-6-18-11-7(10(8)17)4-3-5-9(11)21-13(14,15)16/h3-6H,2H2,1H3,(H2,17,18).
What are the key properties of ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate?
ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate has a molecular weight of 300.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate is sourced from PubChem (CID 62188335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).