2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide

C21H19FN2O — CID 132572979

IUPAC2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
SMILESO=C(CC1(c2ccc(F)cc2)CCC1)Nc1cccc2cccnc12
InChIInChI=1S/C21H19FN2O/c22-17-9-7-16(8-10-17)21(11-3-12-21)14-19(25)24-18-6-1-4-15-5-2-13-23-20(15)18/h1-2,4-10,13H,3,11-12,14H2,(H,24,25)
InChIKeyUWQFHSIMFRETNX-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.82
Rot. Bonds4

About 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide

2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide (PubChem CID 132572979) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
PubChem CID132572979
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
SMILESO=C(CC1(c2ccc(F)cc2)CCC1)Nc1cccc2cccnc12
InChIInChI=1S/C21H19FN2O/c22-17-9-7-16(8-10-17)21(11-3-12-21)14-19(25)24-18-6-1-4-15-5-2-13-23-20(15)18/h1-2,4-10,13H,3,11-12,14H2,(H,24,25)
InChIKeyUWQFHSIMFRETNX-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214406
2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 81167252
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109025202
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214552
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide (CID 132572979) is 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide is O=C(CC1(c2ccc(F)cc2)CCC1)Nc1cccc2cccnc12.
What is the InChIKey of 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide?
The InChIKey is UWQFHSIMFRETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-17-9-7-16(8-10-17)21(11-3-12-21)14-19(25)24-18-6-1-4-15-5-2-13-23-20(15)18/h1-2,4-10,13H,3,11-12,14H2,(H,24,25).
What are the key properties of 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide?
2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide has a molecular weight of 334.39 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 132572979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).