3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine

C12H11F3N2 — CID 63232484

IUPAC3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine
SMILESCCc1cc2c(F)c(F)c(F)cc2nc1NC
InChIInChI=1S/C12H11F3N2/c1-3-6-4-7-9(17-12(6)16-2)5-8(13)11(15)10(7)14/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyOVUXWHXYQRBWOU-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.26
Rot. Bonds2

About 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine

3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine (PubChem CID 63232484) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine
PubChem CID63232484
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine
SMILESCCc1cc2c(F)c(F)c(F)cc2nc1NC
InChIInChI=1S/C12H11F3N2/c1-3-6-4-7-9(17-12(6)16-2)5-8(13)11(15)10(7)14/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyOVUXWHXYQRBWOU-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Quipazine
CID 5011
2-Aminoquinoline
CID 11379
Spautin-1
CID 51037431
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2-Aminoquinoline-3-carbonitrile
CID 268505
N-Methylquipazine
CID 5013
BU 224
CID 2457
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
4-Methyl-2-quinazolinamine
CID 269325
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
1-(6-Fluoro-4-phenylquinazolin-2-yl)guanidine
CID 2960739

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine?
The IUPAC name of 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine (CID 63232484) is 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine.
What is the SMILES notation for 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine?
The canonical SMILES for 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine is CCc1cc2c(F)c(F)c(F)cc2nc1NC.
What is the InChIKey of 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine?
The InChIKey is OVUXWHXYQRBWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-3-6-4-7-9(17-12(6)16-2)5-8(13)11(15)10(7)14/h4-5H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine?
3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine has a molecular weight of 240.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6,7-trifluoro-N-methylquinolin-2-amine is sourced from PubChem (CID 63232484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).