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

C22H20FN3O2 — CID 68830062

IUPAC2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C22H20FN3O2/c1-13(2)9-20-18(11-24)22(14-3-5-15(23)6-4-14)17-10-16(28-12-21(25)27)7-8-19(17)26-20/h3-8,10,13H,9,12H2,1-2H3,(H2,25,27)
InChIKeyDQSFJFBARNLBDD-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.98
Rot. Bonds6

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

2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide (PubChem CID 68830062) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
PubChem CID68830062
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
SMILESCC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C22H20FN3O2/c1-13(2)9-20-18(11-24)22(14-3-5-15(23)6-4-14)17-10-16(28-12-21(25)27)7-8-19(17)26-20/h3-8,10,13H,9,12H2,1-2H3,(H2,25,27)
InChIKeyDQSFJFBARNLBDD-UHFFFAOYSA-N
XLogP3.98
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-cyano-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyethyl acetate
CID 68830320
2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
CID 56659853
4-(4-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]-2-(2-methylpropyl)quinoline-3-carbonitrile
CID 51050452
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetic acid;dihydrochloride
CID 68828690
2-[3-(aminomethyl)-2-(2-methylpropyl)-4-thiophen-2-ylquinolin-6-yl]oxyacetamide
CID 68828791
methyl 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetate;dihydrochloride
CID 90664828
(2E,4E)-5-[3-cyano-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]penta-2,4-dienoic acid
CID 87592910
[6-(cyanomethoxy)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68834233
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxy-N-methylacetamide;dihydrochloride
CID 68830038
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
CID 91246603
[6-[2-(methylamino)-2-oxoethoxy]-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68829831
[4-(4-methylphenyl)-2-(2-methylpropyl)-6-(2H-tetrazol-5-ylmethoxy)quinolin-3-yl]methanamine;dihydrochloride
CID 68828698

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide (CID 68830062) is 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide is CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The InChIKey is DQSFJFBARNLBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-13(2)9-20-18(11-24)22(14-3-5-15(23)6-4-14)17-10-16(28-12-21(25)27)7-8-19(17)26-20/h3-8,10,13H,9,12H2,1-2H3,(H2,25,27).
What are the key properties of 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide has a molecular weight of 377.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(4-fluorophenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide is sourced from PubChem (CID 68830062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).