2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine

C15H17F3N2O — CID 63480702

IUPAC2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine
SMILESCCCNc1cc(CC)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C15H17F3N2O/c1-3-8-19-12-9-10(4-2)20-14-11(12)6-5-7-13(14)21-15(16,17)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyGFPDAFDLQAMVPB-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.52
Rot. Bonds5

About 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine

2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine (PubChem CID 63480702) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine
PubChem CID63480702
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine
SMILESCCCNc1cc(CC)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C15H17F3N2O/c1-3-8-19-12-9-10(4-2)20-14-11(12)6-5-7-13(14)21-15(16,17)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyGFPDAFDLQAMVPB-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine?
The IUPAC name of 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine (CID 63480702) is 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine.
What is the SMILES notation for 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine?
The canonical SMILES for 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine is CCCNc1cc(CC)nc2c(OC(F)(F)F)cccc12.
What is the InChIKey of 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine?
The InChIKey is GFPDAFDLQAMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-3-8-19-12-9-10(4-2)20-14-11(12)6-5-7-13(14)21-15(16,17)18/h5-7,9H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine?
2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine has a molecular weight of 298.31 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-8-(trifluoromethoxy)quinolin-4-amine is sourced from PubChem (CID 63480702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).