6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine

C16H19FN2O — CID 133369297

IUPAC6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
SMILESC=C(C)COCCNc1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C16H19FN2O/c1-11(2)10-20-7-6-18-16-8-12(3)19-15-5-4-13(17)9-14(15)16/h4-5,8-9H,1,6-7,10H2,2-3H3,(H,18,19)
InChIKeyKSJOKCRIMAPAII-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.69
Rot. Bonds6

About 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine

6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine (PubChem CID 133369297) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
PubChem CID133369297
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine
SMILESC=C(C)COCCNc1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C16H19FN2O/c1-11(2)10-20-7-6-18-16-8-12(3)19-15-5-4-13(17)9-14(15)16/h4-5,8-9H,1,6-7,10H2,2-3H3,(H,18,19)
InChIKeyKSJOKCRIMAPAII-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine?
The IUPAC name of 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine (CID 133369297) is 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine is C=C(C)COCCNc1cc(C)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine?
The InChIKey is KSJOKCRIMAPAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(2)10-20-7-6-18-16-8-12(3)19-15-5-4-13(17)9-14(15)16/h4-5,8-9H,1,6-7,10H2,2-3H3,(H,18,19).
What are the key properties of 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine?
6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinolin-4-amine is sourced from PubChem (CID 133369297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).