6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride

C18H18ClFN2O — CID 56728858

IUPAC6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccccc3F)c2c1.Cl
InChIInChI=1S/C18H17FN2O.ClH/c1-3-22-13-8-9-16-14(11-13)18(10-12(2)20-16)21-17-7-5-4-6-15(17)19;/h4-11H,3H2,1-2H3,(H,20,21);1H
InChIKeyBMCNGGXJAZTAGH-UHFFFAOYSA-N
MW332.81 g/mol
LogP5.25
Rot. Bonds4

About 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride

6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride (PubChem CID 56728858) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
PubChem CID56728858
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccccc3F)c2c1.Cl
InChIInChI=1S/C18H17FN2O.ClH/c1-3-22-13-8-9-16-14(11-13)18(10-12(2)20-16)21-17-7-5-4-6-15(17)19;/h4-11H,3H2,1-2H3,(H,20,21);1H
InChIKeyBMCNGGXJAZTAGH-UHFFFAOYSA-N
XLogP5.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride (CID 56728858) is 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride is CCOc1ccc2nc(C)cc(Nc3ccccc3F)c2c1.Cl.
What is the InChIKey of 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is BMCNGGXJAZTAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O.ClH/c1-3-22-13-8-9-16-14(11-13)18(10-12(2)20-16)21-17-7-5-4-6-15(17)19;/h4-11H,3H2,1-2H3,(H,20,21);1H.
What are the key properties of 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride?
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 332.81 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 56728858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).