N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide

C14H15FN2O — CID 138983550

IUPACN-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c2cccnc12
InChIInChI=1S/C14H15FN2O/c1-14(2,3)13(18)17-11-7-6-10(15)9-5-4-8-16-12(9)11/h4-8H,1-3H3,(H,17,18)
InChIKeyLKZVAGJXOWVOIB-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.36
Rot. Bonds1

About N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide

N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide (PubChem CID 138983550) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide
PubChem CID138983550
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c2cccnc12
InChIInChI=1S/C14H15FN2O/c1-14(2,3)13(18)17-11-7-6-10(15)9-5-4-8-16-12(9)11/h4-8H,1-3H3,(H,17,18)
InChIKeyLKZVAGJXOWVOIB-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylquinoxaline
CID 61670
3-Aminoquinoline
CID 11375
8-(Methylsulfonylamino)quinoline
CID 151506
8-Aminoquinoline
CID 11359
3-(2-Quinoxalinyl)aniline
CID 807264
8-Quinolinamine, 4-methyl-
CID 97374
1-Methyl-3-quinolin-8-ylurea
CID 250561
N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136
8-Quinolinamine, 7-methyl-
CID 231556
4-Oxo-4-(quinolin-8-ylamino)butanoic acid
CID 744791
5-Acetylaminoquinoline
CID 162518

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide (CID 138983550) is N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)c2cccnc12.
What is the InChIKey of N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide?
The InChIKey is LKZVAGJXOWVOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-14(2,3)13(18)17-11-7-6-10(15)9-5-4-8-16-12(9)11/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide?
N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide has a molecular weight of 246.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoroquinolin-8-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 138983550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).