2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide

C22H24FN3O2 — CID 56666747

IUPAC2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccc(F)c2)c1CN
InChIInChI=1S/C22H24FN3O2/c1-13(2)8-20-18(11-24)22(14-4-3-5-15(23)9-14)17-10-16(28-12-21(25)27)6-7-19(17)26-20/h3-7,9-10,13H,8,11-12,24H2,1-2H3,(H2,25,27)
InChIKeyJQOASVGBJHCDMC-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.56
Rot. Bonds7

About 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide

2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide (PubChem CID 56666747) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
PubChem CID56666747
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccc(F)c2)c1CN
InChIInChI=1S/C22H24FN3O2/c1-13(2)8-20-18(11-24)22(14-4-3-5-15(23)9-14)17-10-16(28-12-21(25)27)6-7-19(17)26-20/h3-7,9-10,13H,8,11-12,24H2,1-2H3,(H2,25,27)
InChIKeyJQOASVGBJHCDMC-UHFFFAOYSA-N
XLogP3.56
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide (CID 56666747) is 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide is CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccc(F)c2)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The InChIKey is JQOASVGBJHCDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-13(2)8-20-18(11-24)22(14-4-3-5-15(23)9-14)17-10-16(28-12-21(25)27)6-7-19(17)26-20/h3-7,9-10,13H,8,11-12,24H2,1-2H3,(H2,25,27).
What are the key properties of 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide has a molecular weight of 381.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-(3-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide is sourced from PubChem (CID 56666747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).