1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one

C14H15F3N2O2 — CID 81244474

IUPAC1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one
SMILESCn1c(=O)cc(NCCOCC(F)(F)F)c2ccccc21
InChIInChI=1S/C14H15F3N2O2/c1-19-12-5-3-2-4-10(12)11(8-13(19)20)18-6-7-21-9-14(15,16)17/h2-5,8,18H,6-7,9H2,1H3
InChIKeyYSSWKLVBMFKLSX-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.53
Rot. Bonds5

About 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one

1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one (PubChem CID 81244474) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one
PubChem CID81244474
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one
SMILESCn1c(=O)cc(NCCOCC(F)(F)F)c2ccccc21
InChIInChI=1S/C14H15F3N2O2/c1-19-12-5-3-2-4-10(12)11(8-13(19)20)18-6-7-21-9-14(15,16)17/h2-5,8,18H,6-7,9H2,1H3
InChIKeyYSSWKLVBMFKLSX-UHFFFAOYSA-N
XLogP2.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one (CID 81244474) is 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one is Cn1c(=O)cc(NCCOCC(F)(F)F)c2ccccc21.
What is the InChIKey of 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one?
The InChIKey is YSSWKLVBMFKLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-19-12-5-3-2-4-10(12)11(8-13(19)20)18-6-7-21-9-14(15,16)17/h2-5,8,18H,6-7,9H2,1H3.
What are the key properties of 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one?
1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one has a molecular weight of 300.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]quinolin-2-one is sourced from PubChem (CID 81244474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).