2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile

C13H11FN2O — CID 84625979

IUPAC2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
SMILESCC(C#N)c1cc2cc(F)ccc2n(C)c1=O
InChIInChI=1S/C13H11FN2O/c1-8(7-15)11-6-9-5-10(14)3-4-12(9)16(2)13(11)17/h3-6,8H,1-2H3
InChIKeyYABWOXAEYHCQDK-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.30
Rot. Bonds1

About 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile

2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile (PubChem CID 84625979) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
PubChem CID84625979
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
SMILESCC(C#N)c1cc2cc(F)ccc2n(C)c1=O
InChIInChI=1S/C13H11FN2O/c1-8(7-15)11-6-9-5-10(14)3-4-12(9)16(2)13(11)17/h3-6,8H,1-2H3
InChIKeyYABWOXAEYHCQDK-UHFFFAOYSA-N
XLogP2.30
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84632651
2-(4-fluoro-2-methylphenyl)propanenitrile
CID 130135001
3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
CID 83859983
3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one
CID 84637233
3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
CID 118953926
(5-fluoro-1-methylindol-2-yl)-trimethylsilane
CID 177390478
2-(1-methyl-2-oxo-6-propan-2-ylquinolin-3-yl)acetonitrile
CID 84629708
2-ethenyl-5-fluoro-1-methylindole
CID 56833976
2-(5-fluoro-1-methylbenzimidazol-2-yl)acetonitrile
CID 82332311
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
The IUPAC name of 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile (CID 84625979) is 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile.
What is the SMILES notation for 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
The canonical SMILES for 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile is CC(C#N)c1cc2cc(F)ccc2n(C)c1=O.
What is the InChIKey of 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
The InChIKey is YABWOXAEYHCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-8(7-15)11-6-9-5-10(14)3-4-12(9)16(2)13(11)17/h3-6,8H,1-2H3.
What are the key properties of 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile has a molecular weight of 230.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile is sourced from PubChem (CID 84625979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).