2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile

C13H11ClN2O — CID 84632651

IUPAC2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
SMILESCC(C#N)c1cc2cccc(Cl)c2n(C)c1=O
InChIInChI=1S/C13H11ClN2O/c1-8(7-15)10-6-9-4-3-5-11(14)12(9)16(2)13(10)17/h3-6,8H,1-2H3
InChIKeyNZWUCSCPLANWCW-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.82
Rot. Bonds1

About 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile

2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile (PubChem CID 84632651) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
PubChem CID84632651
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
SMILESCC(C#N)c1cc2cccc(Cl)c2n(C)c1=O
InChIInChI=1S/C13H11ClN2O/c1-8(7-15)10-6-9-4-3-5-11(14)12(9)16(2)13(10)17/h3-6,8H,1-2H3
InChIKeyNZWUCSCPLANWCW-UHFFFAOYSA-N
XLogP2.82
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424
2-(3-chloro-2-iodophenyl)propanenitrile
CID 122656408
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
2-(7-chloro-1-methylindol-2-yl)propan-1-amine
CID 83868392
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833
3-(7-chloro-1-methylindol-2-yl)butan-1-amine
CID 83868398
3-(7-chloroindol-1-yl)-2-methylpropanenitrile
CID 83968673
1-[(7-chloro-1-methylindol-2-yl)methyl]-8-methoxy-3,7-dimethylpurine-2,6-dione
CID 129269775
5-(7-chloro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115107942
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
2-(7-chloro-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117196918

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
The IUPAC name of 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile (CID 84632651) is 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile.
What is the SMILES notation for 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
The canonical SMILES for 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile is CC(C#N)c1cc2cccc(Cl)c2n(C)c1=O.
What is the InChIKey of 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
The InChIKey is NZWUCSCPLANWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-8(7-15)10-6-9-4-3-5-11(14)12(9)16(2)13(10)17/h3-6,8H,1-2H3.
What are the key properties of 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile?
2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile has a molecular weight of 246.70 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile is sourced from PubChem (CID 84632651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).