3-(6-fluoroquinolin-2-yl)-N-methylpropanamide

C13H13FN2O — CID 110465204

IUPAC3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C13H13FN2O/c1-15-13(17)7-5-11-4-2-9-8-10(14)3-6-12(9)16-11/h2-4,6,8H,5,7H2,1H3,(H,15,17)
InChIKeyHDUSGYOPTVXXHC-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.05
Rot. Bonds3

About 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide

3-(6-fluoroquinolin-2-yl)-N-methylpropanamide (PubChem CID 110465204) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
PubChem CID110465204
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C13H13FN2O/c1-15-13(17)7-5-11-4-2-9-8-10(14)3-6-12(9)16-11/h2-4,6,8H,5,7H2,1H3,(H,15,17)
InChIKeyHDUSGYOPTVXXHC-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide
CID 110465216
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide
CID 110486620
2-(6-fluoroquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 110490409
ethane;2-ethyl-6-fluoroquinoline
CID 142538501
3-(6-methylquinolin-2-yl)-N-propan-2-ylpropanamide
CID 110486582
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
1-(7-fluoroquinolin-2-yl)propan-2-one
CID 82241337
methyl 3-[6-(trifluoromethyl)quinolin-2-yl]propanoate
CID 82249527
2-(6-fluoroquinolin-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 110490393
3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 132915457

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide?
The IUPAC name of 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide (CID 110465204) is 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide?
The canonical SMILES for 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide is CNC(=O)CCc1ccc2cc(F)ccc2n1.
What is the InChIKey of 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide?
The InChIKey is HDUSGYOPTVXXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-15-13(17)7-5-11-4-2-9-8-10(14)3-6-12(9)16-11/h2-4,6,8H,5,7H2,1H3,(H,15,17).
What are the key properties of 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide?
3-(6-fluoroquinolin-2-yl)-N-methylpropanamide has a molecular weight of 232.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroquinolin-2-yl)-N-methylpropanamide is sourced from PubChem (CID 110465204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).